(3Z,6Z,8E)-dodeca-3,6,8-trien-1-ol

C12H20O — CID 6442192

IUPAC(3Z,6Z,8E)-dodeca-3,6,8-trien-1-ol
SMILESCCC/C=C/C=C\C/C=C\CCO
InChIInChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h4-7,9-10,13H,2-3,8,11-12H2,1H3/b5-4+,7-6-,10-9-
InChIKeyKWVQYNPBWXUHHT-LGRDCDGLSA-N
MW180.29 g/mol
LogP3.23
Rot. Bonds7

About (3Z,6Z,8E)-dodeca-3,6,8-trien-1-ol

(3Z,6Z,8E)-dodeca-3,6,8-trien-1-ol (PubChem CID 6442192) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (3Z,6Z,8E)-dodeca-3,6,8-trien-1-ol.

Molecular Properties

Compound Name(3Z,6Z,8E)-dodeca-3,6,8-trien-1-ol
PubChem CID6442192
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(3Z,6Z,8E)-dodeca-3,6,8-trien-1-ol
SMILESCCC/C=C/C=C\C/C=C\CCO
InChIInChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h4-7,9-10,13H,2-3,8,11-12H2,1H3/b5-4+,7-6-,10-9-
InChIKeyKWVQYNPBWXUHHT-LGRDCDGLSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,6Z,8E)-dodeca-3,6,8-trien-1-ol?
The IUPAC name of (3Z,6Z,8E)-dodeca-3,6,8-trien-1-ol (CID 6442192) is (3Z,6Z,8E)-dodeca-3,6,8-trien-1-ol.
What is the SMILES notation for (3Z,6Z,8E)-dodeca-3,6,8-trien-1-ol?
The canonical SMILES for (3Z,6Z,8E)-dodeca-3,6,8-trien-1-ol is CCC/C=C/C=C\C/C=C\CCO.
What is the InChIKey of (3Z,6Z,8E)-dodeca-3,6,8-trien-1-ol?
The InChIKey is KWVQYNPBWXUHHT-LGRDCDGLSA-N. The full InChI is InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h4-7,9-10,13H,2-3,8,11-12H2,1H3/b5-4+,7-6-,10-9-.
What are the key properties of (3Z,6Z,8E)-dodeca-3,6,8-trien-1-ol?
(3Z,6Z,8E)-dodeca-3,6,8-trien-1-ol has a molecular weight of 180.29 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z,8E)-dodeca-3,6,8-trien-1-ol is sourced from PubChem (CID 6442192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).