icos-9-en-2-ol

C20H40O — CID 91416664

IUPACicos-9-en-2-ol
SMILESCCCCCCCCCCC=CCCCCCCC(C)O
InChIInChI=1S/C20H40O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21/h12-13,20-21H,3-11,14-19H2,1-2H3
InChIKeySENFXBILAINXDS-UHFFFAOYSA-N
MW296.54 g/mol
LogP6.79
Rot. Bonds16

About icos-9-en-2-ol

icos-9-en-2-ol (PubChem CID 91416664) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is icos-9-en-2-ol.

Molecular Properties

Compound Nameicos-9-en-2-ol
PubChem CID91416664
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Nameicos-9-en-2-ol
SMILESCCCCCCCCCCC=CCCCCCCC(C)O
InChIInChI=1S/C20H40O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21/h12-13,20-21H,3-11,14-19H2,1-2H3
InChIKeySENFXBILAINXDS-UHFFFAOYSA-N
XLogP6.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 56.79
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
heptadec-9-en-2-ol
CID 54154410
(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
heptane;heptan-2-ol
CID 157400640
octan-2-ol
CID 20083
(2S)-octadecan-2-ol
CID 25022019

Frequently Asked Questions

What is the IUPAC name of icos-9-en-2-ol?
The IUPAC name of icos-9-en-2-ol (CID 91416664) is icos-9-en-2-ol.
What is the SMILES notation for icos-9-en-2-ol?
The canonical SMILES for icos-9-en-2-ol is CCCCCCCCCCC=CCCCCCCC(C)O.
What is the InChIKey of icos-9-en-2-ol?
The InChIKey is SENFXBILAINXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)21/h12-13,20-21H,3-11,14-19H2,1-2H3.
What are the key properties of icos-9-en-2-ol?
icos-9-en-2-ol has a molecular weight of 296.54 g/mol, XLogP of 6.79, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icos-9-en-2-ol is sourced from PubChem (CID 91416664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).