icosa-1,3-dien-1-ol

C20H38O — CID 73437175

IUPACicosa-1,3-dien-1-ol
SMILESCCCCCCCCCCCCCCCCC=CC=CO
InChIInChI=1S/C20H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h17-21H,2-16H2,1H3
InChIKeyBWCRMGPCCABESS-UHFFFAOYSA-N
MW294.52 g/mol
LogP7.49
Rot. Bonds16

About icosa-1,3-dien-1-ol

icosa-1,3-dien-1-ol (PubChem CID 73437175) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is icosa-1,3-dien-1-ol.

Molecular Properties

Compound Nameicosa-1,3-dien-1-ol
PubChem CID73437175
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Nameicosa-1,3-dien-1-ol
SMILESCCCCCCCCCCCCCCCCC=CC=CO
InChIInChI=1S/C20H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h17-21H,2-16H2,1H3
InChIKeyBWCRMGPCCABESS-UHFFFAOYSA-N
XLogP7.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.52
LogP ≤ 57.49
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of icosa-1,3-dien-1-ol?
The IUPAC name of icosa-1,3-dien-1-ol (CID 73437175) is icosa-1,3-dien-1-ol.
What is the SMILES notation for icosa-1,3-dien-1-ol?
The canonical SMILES for icosa-1,3-dien-1-ol is CCCCCCCCCCCCCCCCC=CC=CO.
What is the InChIKey of icosa-1,3-dien-1-ol?
The InChIKey is BWCRMGPCCABESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h17-21H,2-16H2,1H3.
What are the key properties of icosa-1,3-dien-1-ol?
icosa-1,3-dien-1-ol has a molecular weight of 294.52 g/mol, XLogP of 7.49, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icosa-1,3-dien-1-ol is sourced from PubChem (CID 73437175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).