(8E,10E)-3,7,9-trimethyldodeca-8,10-dien-6-ol

C15H28O — CID 87161693

IUPAC(8E,10E)-3,7,9-trimethyldodeca-8,10-dien-6-ol
SMILESC/C=C/C(C)=C/C(C)C(O)CCC(C)CC
InChIInChI=1S/C15H28O/c1-6-8-13(4)11-14(5)15(16)10-9-12(3)7-2/h6,8,11-12,14-16H,7,9-10H2,1-5H3/b8-6+,13-11+
InChIKeyXQCDQMOVHDXOJP-VAFZVJGJSA-N
MW224.39 g/mol
LogP4.33
Rot. Bonds7

About (8E,10E)-3,7,9-trimethyldodeca-8,10-dien-6-ol

(8E,10E)-3,7,9-trimethyldodeca-8,10-dien-6-ol (PubChem CID 87161693) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is (8E,10E)-3,7,9-trimethyldodeca-8,10-dien-6-ol.

Molecular Properties

Compound Name(8E,10E)-3,7,9-trimethyldodeca-8,10-dien-6-ol
PubChem CID87161693
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name(8E,10E)-3,7,9-trimethyldodeca-8,10-dien-6-ol
SMILESC/C=C/C(C)=C/C(C)C(O)CCC(C)CC
InChIInChI=1S/C15H28O/c1-6-8-13(4)11-14(5)15(16)10-9-12(3)7-2/h6,8,11-12,14-16H,7,9-10H2,1-5H3/b8-6+,13-11+
InChIKeyXQCDQMOVHDXOJP-VAFZVJGJSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (8E,10E)-3,7,9-trimethyldodeca-8,10-dien-6-ol?
The IUPAC name of (8E,10E)-3,7,9-trimethyldodeca-8,10-dien-6-ol (CID 87161693) is (8E,10E)-3,7,9-trimethyldodeca-8,10-dien-6-ol.
What is the SMILES notation for (8E,10E)-3,7,9-trimethyldodeca-8,10-dien-6-ol?
The canonical SMILES for (8E,10E)-3,7,9-trimethyldodeca-8,10-dien-6-ol is C/C=C/C(C)=C/C(C)C(O)CCC(C)CC.
What is the InChIKey of (8E,10E)-3,7,9-trimethyldodeca-8,10-dien-6-ol?
The InChIKey is XQCDQMOVHDXOJP-VAFZVJGJSA-N. The full InChI is InChI=1S/C15H28O/c1-6-8-13(4)11-14(5)15(16)10-9-12(3)7-2/h6,8,11-12,14-16H,7,9-10H2,1-5H3/b8-6+,13-11+.
What are the key properties of (8E,10E)-3,7,9-trimethyldodeca-8,10-dien-6-ol?
(8E,10E)-3,7,9-trimethyldodeca-8,10-dien-6-ol has a molecular weight of 224.39 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8E,10E)-3,7,9-trimethyldodeca-8,10-dien-6-ol is sourced from PubChem (CID 87161693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).