(6Z,10Z,12E)-hexadeca-6,10,12-trien-1-ol

C16H28O — CID 177468208

IUPAC(6Z,10Z,12E)-hexadeca-6,10,12-trien-1-ol
SMILESCCC/C=C/C=C\CC/C=C\CCCCCO
InChIInChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,10-11,17H,2-3,8-9,12-16H2,1H3/b5-4+,7-6-,11-10-
InChIKeyXWYKJPUJZSHOIL-BWRHLCCUSA-N
MW236.40 g/mol
LogP4.79
Rot. Bonds11

About (6Z,10Z,12E)-hexadeca-6,10,12-trien-1-ol

(6Z,10Z,12E)-hexadeca-6,10,12-trien-1-ol (PubChem CID 177468208) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (6Z,10Z,12E)-hexadeca-6,10,12-trien-1-ol.

Molecular Properties

Compound Name(6Z,10Z,12E)-hexadeca-6,10,12-trien-1-ol
PubChem CID177468208
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(6Z,10Z,12E)-hexadeca-6,10,12-trien-1-ol
SMILESCCC/C=C/C=C\CC/C=C\CCCCCO
InChIInChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,10-11,17H,2-3,8-9,12-16H2,1H3/b5-4+,7-6-,11-10-
InChIKeyXWYKJPUJZSHOIL-BWRHLCCUSA-N
XLogP4.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(10Z)-hexadeca-10,12-dien-1-ol
CID 87450795
(Z)-undec-7-en-1-ol
CID 93484782
(E)-hexadec-12-en-1-ol
CID 6431319
(10E,12Z)-octadeca-10,12-dien-1-ol
CID 11601413
tetradeca-7,9-dien-1-ol
CID 56637976
pentadeca-5,7-dien-1-ol
CID 91447211
(10Z,12E)-octadeca-10,12-dien-1-ol
CID 140698852
(5E,7E)-trideca-5,7-dien-1-ol
CID 10943429
(5Z,7Z)-dodeca-5,7-dien-1-ol
CID 5365645
pentadeca-10,12-dien-1-ol
CID 71370409
(4E,6E)-pentacosa-4,6-dien-1-ol
CID 118460624
octadec-9-en-1-ol
CID 8927

Frequently Asked Questions

What is the IUPAC name of (6Z,10Z,12E)-hexadeca-6,10,12-trien-1-ol?
The IUPAC name of (6Z,10Z,12E)-hexadeca-6,10,12-trien-1-ol (CID 177468208) is (6Z,10Z,12E)-hexadeca-6,10,12-trien-1-ol.
What is the SMILES notation for (6Z,10Z,12E)-hexadeca-6,10,12-trien-1-ol?
The canonical SMILES for (6Z,10Z,12E)-hexadeca-6,10,12-trien-1-ol is CCC/C=C/C=C\CC/C=C\CCCCCO.
What is the InChIKey of (6Z,10Z,12E)-hexadeca-6,10,12-trien-1-ol?
The InChIKey is XWYKJPUJZSHOIL-BWRHLCCUSA-N. The full InChI is InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h4-7,10-11,17H,2-3,8-9,12-16H2,1H3/b5-4+,7-6-,11-10-.
What are the key properties of (6Z,10Z,12E)-hexadeca-6,10,12-trien-1-ol?
(6Z,10Z,12E)-hexadeca-6,10,12-trien-1-ol has a molecular weight of 236.40 g/mol, XLogP of 4.79, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,10Z,12E)-hexadeca-6,10,12-trien-1-ol is sourced from PubChem (CID 177468208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).