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2D Structure
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

2D Structure

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 Weight 270.5 g/mol
Molecular Formula C18H38O
XLogP38.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count15
Exact Mass270.292265831 g/mol
Monoisotopic Mass270.292265831 g/mol
Topological Polar Surface Area20.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity154
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1