(6E,8E,10E)-dodeca-6,8,10-trien-4-ol

C12H20O — CID 87376875

IUPAC(6E,8E,10E)-dodeca-6,8,10-trien-4-ol
SMILESC/C=C/C=C/C=C/CC(O)CCC
InChIInChI=1S/C12H20O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h3,5-9,12-13H,4,10-11H2,1-2H3/b5-3+,7-6+,9-8+
InChIKeyXDWPRWHGFOPNSX-HBJGMSRDSA-N
MW180.29 g/mol
LogP3.23
Rot. Bonds6

About (6E,8E,10E)-dodeca-6,8,10-trien-4-ol

(6E,8E,10E)-dodeca-6,8,10-trien-4-ol (PubChem CID 87376875) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (6E,8E,10E)-dodeca-6,8,10-trien-4-ol.

Molecular Properties

Compound Name(6E,8E,10E)-dodeca-6,8,10-trien-4-ol
PubChem CID87376875
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(6E,8E,10E)-dodeca-6,8,10-trien-4-ol
SMILESC/C=C/C=C/C=C/CC(O)CCC
InChIInChI=1S/C12H20O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h3,5-9,12-13H,4,10-11H2,1-2H3/b5-3+,7-6+,9-8+
InChIKeyXDWPRWHGFOPNSX-HBJGMSRDSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E,8E,10E)-dodeca-6,8,10-trien-4-ol?
The IUPAC name of (6E,8E,10E)-dodeca-6,8,10-trien-4-ol (CID 87376875) is (6E,8E,10E)-dodeca-6,8,10-trien-4-ol.
What is the SMILES notation for (6E,8E,10E)-dodeca-6,8,10-trien-4-ol?
The canonical SMILES for (6E,8E,10E)-dodeca-6,8,10-trien-4-ol is C/C=C/C=C/C=C/CC(O)CCC.
What is the InChIKey of (6E,8E,10E)-dodeca-6,8,10-trien-4-ol?
The InChIKey is XDWPRWHGFOPNSX-HBJGMSRDSA-N. The full InChI is InChI=1S/C12H20O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h3,5-9,12-13H,4,10-11H2,1-2H3/b5-3+,7-6+,9-8+.
What are the key properties of (6E,8E,10E)-dodeca-6,8,10-trien-4-ol?
(6E,8E,10E)-dodeca-6,8,10-trien-4-ol has a molecular weight of 180.29 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E,10E)-dodeca-6,8,10-trien-4-ol is sourced from PubChem (CID 87376875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).