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

Synopsis, 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

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 Formula	C₁₆H₃₀O
Molecular Weight	238.41 g/mol
XLogP3	6.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	238.229665576 g/mol
Monoisotopic Mass	238.229665576 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	198
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1