(4E,6Z)-hexadeca-4,6,11-trien-1-ol

C16H28O — CID 134533002

IUPAC(4E,6Z)-hexadeca-4,6,11-trien-1-ol
SMILESCCCCC=CCCC/C=C\C=C\CCCO
InChIInChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,10-13,17H,2-4,7-9,14-16H2,1H3/b6-5?,11-10-,13-12+
InChIKeyFVWUQNJBUJLAGK-JLGAEVCKSA-N
MW236.40 g/mol
LogP4.79
Rot. Bonds11

About (4E,6Z)-hexadeca-4,6,11-trien-1-ol

(4E,6Z)-hexadeca-4,6,11-trien-1-ol (PubChem CID 134533002) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is (4E,6Z)-hexadeca-4,6,11-trien-1-ol.

Molecular Properties

Compound Name(4E,6Z)-hexadeca-4,6,11-trien-1-ol
PubChem CID134533002
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name(4E,6Z)-hexadeca-4,6,11-trien-1-ol
SMILESCCCCC=CCCC/C=C\C=C\CCCO
InChIInChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,10-13,17H,2-4,7-9,14-16H2,1H3/b6-5?,11-10-,13-12+
InChIKeyFVWUQNJBUJLAGK-JLGAEVCKSA-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

(5Z,7Z)-dodeca-5,7-dien-1-ol
CID 5365645
tetradeca-7,9-dien-1-ol
CID 56637976
(4E,6E)-pentacosa-4,6-dien-1-ol
CID 118460624
(3E,5E)-deca-3,5-dien-1-ol
CID 118460601
(5E,7E)-trideca-5,7-dien-1-ol
CID 10943429
(10E,12Z)-octadeca-10,12-dien-1-ol
CID 11601413
pentadeca-5,7-dien-1-ol
CID 91447211
(10Z,12E)-octadeca-10,12-dien-1-ol
CID 140698852
(E)-nonadec-4-en-1-ol
CID 87881885
(4E,6Z)-nona-4,6-dien-1-ol
CID 11286515
(E)-heptadec-12-en-1-ol
CID 87814318
(6Z,10Z,12E)-hexadeca-6,10,12-trien-1-ol
CID 177468208

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-hexadeca-4,6,11-trien-1-ol?
The IUPAC name of (4E,6Z)-hexadeca-4,6,11-trien-1-ol (CID 134533002) is (4E,6Z)-hexadeca-4,6,11-trien-1-ol.
What is the SMILES notation for (4E,6Z)-hexadeca-4,6,11-trien-1-ol?
The canonical SMILES for (4E,6Z)-hexadeca-4,6,11-trien-1-ol is CCCCC=CCCC/C=C\C=C\CCCO.
What is the InChIKey of (4E,6Z)-hexadeca-4,6,11-trien-1-ol?
The InChIKey is FVWUQNJBUJLAGK-JLGAEVCKSA-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/h5-6,10-13,17H,2-4,7-9,14-16H2,1H3/b6-5?,11-10-,13-12+.
What are the key properties of (4E,6Z)-hexadeca-4,6,11-trien-1-ol?
(4E,6Z)-hexadeca-4,6,11-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 (4E,6Z)-hexadeca-4,6,11-trien-1-ol is sourced from PubChem (CID 134533002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).