Isooctadecanol

Synopsis, Chemistry

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Also known as: Isostearyl alcohol, Isooctadecanol, 27458-93-1, Isooctadecan-1-ol, Isooctadecyl alcohol, 16-methylheptadecanol

Molecular Formula

C₁₈H₃₈O

Molecular Weight

270.5 g/mol

InChI Key

WNWHHMBRJJOGFJ-UHFFFAOYSA-N

FDA UNII

W29XHH208C

1 2D Structure

Isooctadecanol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

16-methylheptadecan-1-ol

2.1.2 InChI

InChI=1S/C18H38O/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h18-19H,3-17H2,1-2H3

2.1.3 InChI Key

WNWHHMBRJJOGFJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)CCCCCCCCCCCCCCCO

2.2 Other Identifiers

2.2.1 UNII

W29XHH208C

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Isooctadecyl Alcohol

2. Isostearyl Alcohol

2.3.2 Depositor-Supplied Synonyms

1. Isostearyl Alcohol

2. Isooctadecanol

3. 27458-93-1

4. Isooctadecan-1-ol

5. Isooctadecyl Alcohol

6. 16-methylheptadecanol

7. 41744-75-6

8. 1-heptadecanol, 16-methyl-

9. 16-methyl-1-heptadecanol

10. Isostearylalcohol

11. Isostearyl Alcohol [usan]

12. W29xhh208c

13. Chebi:84911

14. Isostearyl Alcohol (usan)

15. Einecs 248-470-8

16. Unii-q613ocq44y

17. Unii-w29xhh208c

18. Witcohol 66

19. Einecs 255-529-1

20. Jarcol I-18t

21. Witcohol 66 (tn)

22. Ec 248-470-8

23. Schembl8716

24. Q613ocq44y

25. Chembl2107291

26. Dtxsid80892268

27. Zinc4521611

28. Bs-49227

29. Db-047225

30. Ft-0627517

31. D04633

32. F71170

33. 458i931

34. W-110704

35. Q27158175

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₃₈O
Molecular Weight	270.5 g/mol
XLogP3	8.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	15
Exact Mass	270.292265831 g/mol
Monoisotopic Mass	270.292265831 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	154
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1