(Z)-henicos-12-en-2-ol

C21H42O — CID 141141779

IUPAC(Z)-henicos-12-en-2-ol
SMILESCCCCCCCC/C=C\CCCCCCCCCC(C)O
InChIInChI=1S/C21H42O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22/h10-11,21-22H,3-9,12-20H2,1-2H3/b11-10-
InChIKeyLWPKGFYWHSKQNC-KHPPLWFESA-N
MW310.57 g/mol
LogP7.18
Rot. Bonds17

About (Z)-henicos-12-en-2-ol

(Z)-henicos-12-en-2-ol (PubChem CID 141141779) has the molecular formula C21H42O and a molecular weight of 310.57 g/mol. Its IUPAC name is (Z)-henicos-12-en-2-ol.

Molecular Properties

Compound Name(Z)-henicos-12-en-2-ol
PubChem CID141141779
Molecular FormulaC21H42O
Molecular Weight310.57 g/mol
Exact Mass310.32
IUPAC Name(Z)-henicos-12-en-2-ol
SMILESCCCCCCCC/C=C\CCCCCCCCCC(C)O
InChIInChI=1S/C21H42O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22/h10-11,21-22H,3-9,12-20H2,1-2H3/b11-10-
InChIKeyLWPKGFYWHSKQNC-KHPPLWFESA-N
XLogP7.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.57
LogP ≤ 57.18
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

heptadec-9-en-2-ol
CID 54154410
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
henicosan-2-ol
CID 14151023

Frequently Asked Questions

What is the IUPAC name of (Z)-henicos-12-en-2-ol?
The IUPAC name of (Z)-henicos-12-en-2-ol (CID 141141779) is (Z)-henicos-12-en-2-ol.
What is the SMILES notation for (Z)-henicos-12-en-2-ol?
The canonical SMILES for (Z)-henicos-12-en-2-ol is CCCCCCCC/C=C\CCCCCCCCCC(C)O.
What is the InChIKey of (Z)-henicos-12-en-2-ol?
The InChIKey is LWPKGFYWHSKQNC-KHPPLWFESA-N. The full InChI is InChI=1S/C21H42O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22/h10-11,21-22H,3-9,12-20H2,1-2H3/b11-10-.
What are the key properties of (Z)-henicos-12-en-2-ol?
(Z)-henicos-12-en-2-ol has a molecular weight of 310.57 g/mol, XLogP of 7.18, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-henicos-12-en-2-ol is sourced from PubChem (CID 141141779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).