icos-1-en-1-ol

C20H40O — CID 3015396

IUPACicos-1-en-1-ol
SMILESCCCCCCCCCCCCCCCCCCC=CO
InChIInChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h19-21H,2-18H2,1H3
InChIKeyACJQRYKUUGFHPV-UHFFFAOYSA-N
MW296.54 g/mol
LogP7.71
Rot. Bonds17

About icos-1-en-1-ol

icos-1-en-1-ol (PubChem CID 3015396) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is icos-1-en-1-ol.

Molecular Properties

Compound Nameicos-1-en-1-ol
PubChem CID3015396
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Nameicos-1-en-1-ol
SMILESCCCCCCCCCCCCCCCCCCC=CO
InChIInChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h19-21H,2-18H2,1H3
InChIKeyACJQRYKUUGFHPV-UHFFFAOYSA-N
XLogP7.71
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 ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of icos-1-en-1-ol?
The IUPAC name of icos-1-en-1-ol (CID 3015396) is icos-1-en-1-ol.
What is the SMILES notation for icos-1-en-1-ol?
The canonical SMILES for icos-1-en-1-ol is CCCCCCCCCCCCCCCCCCC=CO.
What is the InChIKey of icos-1-en-1-ol?
The InChIKey is ACJQRYKUUGFHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h19-21H,2-18H2,1H3.
What are the key properties of icos-1-en-1-ol?
icos-1-en-1-ol has a molecular weight of 296.54 g/mol, XLogP of 7.71, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icos-1-en-1-ol is sourced from PubChem (CID 3015396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).