heptadec-9-en-2-ol

C17H34O — CID 54154410

IUPACheptadec-9-en-2-ol
SMILESCCCCCCCC=CCCCCCCC(C)O
InChIInChI=1S/C17H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18/h9-10,17-18H,3-8,11-16H2,1-2H3
InChIKeyOJZVVRXCJIHFKC-UHFFFAOYSA-N
MW254.46 g/mol
LogP5.62
Rot. Bonds13

About heptadec-9-en-2-ol

heptadec-9-en-2-ol (PubChem CID 54154410) has the molecular formula C17H34O and a molecular weight of 254.46 g/mol. Its IUPAC name is heptadec-9-en-2-ol.

Molecular Properties

Compound Nameheptadec-9-en-2-ol
PubChem CID54154410
Molecular FormulaC17H34O
Molecular Weight254.46 g/mol
Exact Mass254.26
IUPAC Nameheptadec-9-en-2-ol
SMILESCCCCCCCC=CCCCCCCC(C)O
InChIInChI=1S/C17H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18/h9-10,17-18H,3-8,11-16H2,1-2H3
InChIKeyOJZVVRXCJIHFKC-UHFFFAOYSA-N
XLogP5.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.46
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-henicos-12-en-2-ol
CID 141141779
icos-9-en-2-ol
CID 91416664
(Z)-tridec-7-en-2-ol
CID 89138962
(E)-tridec-8-en-2-ol
CID 173250287
nonadeca-7,10,13-trien-2-ol
CID 54048695
(E)-dodec-5-en-2-ol
CID 10511710
tetracos-5-en-2-ol
CID 173208999
(E)-undec-8-en-2-ol
CID 118316981
docosan-2-ol
CID 14151025
octan-2-ol
CID 20083
(2S)-octadecan-2-ol
CID 25022019
heptane;heptan-2-ol
CID 157400640

Frequently Asked Questions

What is the IUPAC name of heptadec-9-en-2-ol?
The IUPAC name of heptadec-9-en-2-ol (CID 54154410) is heptadec-9-en-2-ol.
What is the SMILES notation for heptadec-9-en-2-ol?
The canonical SMILES for heptadec-9-en-2-ol is CCCCCCCC=CCCCCCCC(C)O.
What is the InChIKey of heptadec-9-en-2-ol?
The InChIKey is OJZVVRXCJIHFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18/h9-10,17-18H,3-8,11-16H2,1-2H3.
What are the key properties of heptadec-9-en-2-ol?
heptadec-9-en-2-ol has a molecular weight of 254.46 g/mol, XLogP of 5.62, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptadec-9-en-2-ol is sourced from PubChem (CID 54154410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).