hexane;(11E)-tetradeca-11,13-dien-1-ol

C20H40O — CID 175020662

IUPAChexane;(11E)-tetradeca-11,13-dien-1-ol
SMILESC=C/C=C/CCCCCCCCCCO.CCCCCC
InChIInChI=1S/C14H26O.C6H14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-3-5-6-4-2/h2-4,15H,1,5-14H2;3-6H2,1-2H3/b4-3+;
InChIKeyBQPLPWYTNSZBQY-BJILWQEISA-N
MW296.54 g/mol
LogP6.82
Rot. Bonds14

About hexane;(11E)-tetradeca-11,13-dien-1-ol

hexane;(11E)-tetradeca-11,13-dien-1-ol (PubChem CID 175020662) has the molecular formula C20H40O and a molecular weight of 296.54 g/mol. Its IUPAC name is hexane;(11E)-tetradeca-11,13-dien-1-ol.

Molecular Properties

Compound Namehexane;(11E)-tetradeca-11,13-dien-1-ol
PubChem CID175020662
Molecular FormulaC20H40O
Molecular Weight296.54 g/mol
Exact Mass296.31
IUPAC Namehexane;(11E)-tetradeca-11,13-dien-1-ol
SMILESC=C/C=C/CCCCCCCCCCO.CCCCCC
InChIInChI=1S/C14H26O.C6H14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-3-5-6-4-2/h2-4,15H,1,5-14H2;3-6H2,1-2H3/b4-3+;
InChIKeyBQPLPWYTNSZBQY-BJILWQEISA-N
XLogP6.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 56.82
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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Related Compounds

heptadeca-14,16-dien-1-ol
CID 163204876
deca-7,9-dien-1-ol
CID 54432323
pentadeca-12,14-dien-1-ol
CID 163204807
(14E)-heptadeca-14,16-dien-1-ol
CID 163204911
(10E,12Z)-octadeca-10,12-dien-1-ol
CID 11601413
(3Z)-heptadeca-1,3,9-triene
CID 175589298
pentadeca-5,7-dien-1-ol
CID 91447211
(10Z,12E)-octadeca-10,12-dien-1-ol
CID 140698852
hexadeca-1,3,8-triene
CID 174048674
(5E,7E)-trideca-5,7-dien-1-ol
CID 10943429
undeca-1,3-diene;undec-1-ene
CID 159743461
(4E,6E)-pentacosa-4,6-dien-1-ol
CID 118460624

Frequently Asked Questions

What is the IUPAC name of hexane;(11E)-tetradeca-11,13-dien-1-ol?
The IUPAC name of hexane;(11E)-tetradeca-11,13-dien-1-ol (CID 175020662) is hexane;(11E)-tetradeca-11,13-dien-1-ol.
What is the SMILES notation for hexane;(11E)-tetradeca-11,13-dien-1-ol?
The canonical SMILES for hexane;(11E)-tetradeca-11,13-dien-1-ol is C=C/C=C/CCCCCCCCCCO.CCCCCC.
What is the InChIKey of hexane;(11E)-tetradeca-11,13-dien-1-ol?
The InChIKey is BQPLPWYTNSZBQY-BJILWQEISA-N. The full InChI is InChI=1S/C14H26O.C6H14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-3-5-6-4-2/h2-4,15H,1,5-14H2;3-6H2,1-2H3/b4-3+;.
What are the key properties of hexane;(11E)-tetradeca-11,13-dien-1-ol?
hexane;(11E)-tetradeca-11,13-dien-1-ol has a molecular weight of 296.54 g/mol, XLogP of 6.82, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexane;(11E)-tetradeca-11,13-dien-1-ol is sourced from PubChem (CID 175020662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).