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Chemistry

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Also known as: 10403-00-6, (3r)-3-methylcyclopentadecan-1-one, (r)-muscone, (-)-3-methylcyclopentadecanone, (-)-(3r)-3-methylcyclopentadecanone, Ups3c6cv36
Molecular Formula
C16H30O
Molecular Weight
238.41  g/mol
InChI Key
ALHUZKCOMYUFRB-OAHLLOKOSA-N
FDA UNII
UPS3C6CV36

Cyclopentadecanone, 3-Methyl-, (3R)-
muscone is a natural product found in Moschus moschiferus with data available.
1 2D Structure

Cyclopentadecanone, 3-Methyl-, (3R)-

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3R)-3-methylcyclopentadecan-1-one
2.1.2 InChI
InChI=1S/C16H30O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h15H,2-14H2,1H3/t15-/m1/s1
2.1.3 InChI Key
ALHUZKCOMYUFRB-OAHLLOKOSA-N
2.1.4 Canonical SMILES
CC1CCCCCCCCCCCCC(=O)C1
2.1.5 Isomeric SMILES
C[C@@H]1CCCCCCCCCCCCC(=O)C1
2.2 Other Identifiers
2.2.1 UNII
UPS3C6CV36
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 3-methylcyclopentadecanone

2. Dl-3-methylcyclopentadecanone

3. Muscone

4. Muscone, (+-)-

5. Muskone

2.3.2 Depositor-Supplied Synonyms

1. 10403-00-6

2. (3r)-3-methylcyclopentadecan-1-one

3. (r)-muscone

4. (-)-3-methylcyclopentadecanone

5. (-)-(3r)-3-methylcyclopentadecanone

6. Ups3c6cv36

7. (r)-3-methylcyclopentadecanone

8. (r)-(-)-muscone

9. Unii-ups3c6cv36

10. (-)-muscone

11. Muscone [inci]

12. Muscone [mi]

13. Schembl316196

14. Chembl3731037

15. Chebi:167860

16. Zinc4269341

17. Akos016038544

18. Q27291190

2.4 Create Date
2006-07-29
3 Chemical and Physical Properties
Molecular Weight 238.41 g/mol
Molecular Formula C16H30O
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass238.229665576 g/mol
Monoisotopic Mass238.229665576 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity198
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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