icos-1-en-3-ol

C20H40O — CID 10979378

IUPACicos-1-en-3-ol
SMILESC=CC(O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)4-2/h4,20-21H,2-3,5-19H2,1H3
InChIKeyYDQHNOWGMPESTK-UHFFFAOYSA-N
MW296.54 g/mol
LogP6.79
Rot. Bonds17

About icos-1-en-3-ol

icos-1-en-3-ol (PubChem CID 10979378) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is icos-1-en-3-ol.

Molecular Properties

Compound Nameicos-1-en-3-ol
PubChem CID10979378
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Nameicos-1-en-3-ol
SMILESC=CC(O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)4-2/h4,20-21H,2-3,5-19H2,1H3
InChIKeyYDQHNOWGMPESTK-UHFFFAOYSA-N
XLogP6.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
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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Frequently Asked Questions

What is the IUPAC name of icos-1-en-3-ol?
The IUPAC name of icos-1-en-3-ol (CID 10979378) is icos-1-en-3-ol.
What is the SMILES notation for icos-1-en-3-ol?
The canonical SMILES for icos-1-en-3-ol is C=CC(O)CCCCCCCCCCCCCCCCC.
What is the InChIKey of icos-1-en-3-ol?
The InChIKey is YDQHNOWGMPESTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)4-2/h4,20-21H,2-3,5-19H2,1H3.
What are the key properties of icos-1-en-3-ol?
icos-1-en-3-ol has a molecular weight of 296.54 g/mol, XLogP of 6.79, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icos-1-en-3-ol is sourced from PubChem (CID 10979378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).