(1E,3E)-icosa-1,3-dien-1-ol

C20H38O — CID 18319158

IUPAC(1E,3E)-icosa-1,3-dien-1-ol
SMILESCCCCCCCCCCCCCCCC/C=C/C=C/O
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/b18-17+,20-19+
InChIKeyBWCRMGPCCABESS-GHPQSQKNSA-N
MW294.52 g/mol
LogP7.49
Rot. Bonds16

About (1E,3E)-icosa-1,3-dien-1-ol

(1E,3E)-icosa-1,3-dien-1-ol (PubChem CID 18319158) has the molecular formula C20H38O and a molecular weight of 294.52 g/mol. Its IUPAC name is (1E,3E)-icosa-1,3-dien-1-ol.

Molecular Properties

Compound Name(1E,3E)-icosa-1,3-dien-1-ol
PubChem CID18319158
Molecular FormulaC20H38O
Molecular Weight294.52 g/mol
Exact Mass294.29
IUPAC Name(1E,3E)-icosa-1,3-dien-1-ol
SMILESCCCCCCCCCCCCCCCC/C=C/C=C/O
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/b18-17+,20-19+
InChIKeyBWCRMGPCCABESS-GHPQSQKNSA-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 (1E,3E)-icosa-1,3-dien-1-ol?
The IUPAC name of (1E,3E)-icosa-1,3-dien-1-ol (CID 18319158) is (1E,3E)-icosa-1,3-dien-1-ol.
What is the SMILES notation for (1E,3E)-icosa-1,3-dien-1-ol?
The canonical SMILES for (1E,3E)-icosa-1,3-dien-1-ol is CCCCCCCCCCCCCCCC/C=C/C=C/O.
What is the InChIKey of (1E,3E)-icosa-1,3-dien-1-ol?
The InChIKey is BWCRMGPCCABESS-GHPQSQKNSA-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/b18-17+,20-19+.
What are the key properties of (1E,3E)-icosa-1,3-dien-1-ol?
(1E,3E)-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 (1E,3E)-icosa-1,3-dien-1-ol is sourced from PubChem (CID 18319158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).