(10E,12E)-hexadeca-10,12-dien-1-ol

C16H30O — CID 5353007

IUPAC(10E,12E)-hexadeca-10,12-dien-1-ol
SMILESCCC/C=C/C=C/CCCCCCCCCO
InChIInChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,17H,2-3,8-16H2,1H3/b5-4+,7-6+
InChIKeyCIVIWCVVOFNUST-YTXTXJHMSA-N
MW238.41 g/mol
LogP5.01
Rot. Bonds12

About (10E,12E)-hexadeca-10,12-dien-1-ol

(10E,12E)-hexadeca-10,12-dien-1-ol (PubChem CID 5353007) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is (10E,12E)-hexadeca-10,12-dien-1-ol.

Molecular Properties

Compound Name(10E,12E)-hexadeca-10,12-dien-1-ol
PubChem CID5353007
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name(10E,12E)-hexadeca-10,12-dien-1-ol
SMILESCCC/C=C/C=C/CCCCCCCCCO
InChIInChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,17H,2-3,8-16H2,1H3/b5-4+,7-6+
InChIKeyCIVIWCVVOFNUST-YTXTXJHMSA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (10E,12E)-hexadeca-10,12-dien-1-ol?
The IUPAC name of (10E,12E)-hexadeca-10,12-dien-1-ol (CID 5353007) is (10E,12E)-hexadeca-10,12-dien-1-ol.
What is the SMILES notation for (10E,12E)-hexadeca-10,12-dien-1-ol?
The canonical SMILES for (10E,12E)-hexadeca-10,12-dien-1-ol is CCC/C=C/C=C/CCCCCCCCCO.
What is the InChIKey of (10E,12E)-hexadeca-10,12-dien-1-ol?
The InChIKey is CIVIWCVVOFNUST-YTXTXJHMSA-N. The full InChI is InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,17H,2-3,8-16H2,1H3/b5-4+,7-6+.
What are the key properties of (10E,12E)-hexadeca-10,12-dien-1-ol?
(10E,12E)-hexadeca-10,12-dien-1-ol has a molecular weight of 238.41 g/mol, XLogP of 5.01, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10E,12E)-hexadeca-10,12-dien-1-ol is sourced from PubChem (CID 5353007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).