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Chemistry

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Also known as: 25231-21-4, Polyoxypropylene 15 stearyl ether, Ppg-15 stearyl ether, Polypropylene glycol monostearyl ether, Schembl1091934, Dtxsid60865197

Molecular Formula

C₂₁H₄₄O₂

Molecular Weight

328.6 g/mol

InChI Key

ZQCIPRGNRQXXSK-UHFFFAOYSA-N

1 2D Structure

1-Octadecoxypropan-2-Ol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-octadecoxypropan-2-ol

2.1.2 InChI

InChI=1S/C21H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-21(2)22/h21-22H,3-20H2,1-2H3

2.1.3 InChI Key

ZQCIPRGNRQXXSK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCCCCOCC(C)O

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Polyoxypropylene 15 Stearyl Ether

2. Polypropylene Glycol Stearyl Ether 15

3. Ppg-15

2.2.2 Depositor-Supplied Synonyms

1. 25231-21-4

2. Polyoxypropylene 15 Stearyl Ether

3. Ppg-15 Stearyl Ether

4. Polypropylene Glycol Monostearyl Ether

5. Schembl1091934

6. Dtxsid60865197

7. 1-(octadecyloxy)propan-2-ol

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₄₄O₂
Molecular Weight	328.6 g/mol
XLogP3	8.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	19
Exact Mass	328.334130642 g/mol
Monoisotopic Mass	328.334130642 g/mol
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	206
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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