(3S,6E)-3,7,11-trimethyldodeca-6,10-dien-1-ol

C15H28O — CID 11160445

IUPAC(3S,6E)-3,7,11-trimethyldodeca-6,10-dien-1-ol
SMILESCC(C)=CCC/C(C)=C/CC[C@H](C)CCO
InChIInChI=1S/C15H28O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,15-16H,5-6,8,10-12H2,1-4H3/b14-9+/t15-/m0/s1
InChIKeyOOOOFOPLSIWRAR-HNRFISLBSA-N
MW224.39 g/mol
LogP4.48
Rot. Bonds8

About (3S,6E)-3,7,11-trimethyldodeca-6,10-dien-1-ol

(3S,6E)-3,7,11-trimethyldodeca-6,10-dien-1-ol (PubChem CID 11160445) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is (3S,6E)-3,7,11-trimethyldodeca-6,10-dien-1-ol.

Molecular Properties

Compound Name(3S,6E)-3,7,11-trimethyldodeca-6,10-dien-1-ol
PubChem CID11160445
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name(3S,6E)-3,7,11-trimethyldodeca-6,10-dien-1-ol
SMILESCC(C)=CCC/C(C)=C/CC[C@H](C)CCO
InChIInChI=1S/C15H28O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,15-16H,5-6,8,10-12H2,1-4H3/b14-9+/t15-/m0/s1
InChIKeyOOOOFOPLSIWRAR-HNRFISLBSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,6E)-3,7,11-trimethyldodeca-6,10-dien-1-ol?
The IUPAC name of (3S,6E)-3,7,11-trimethyldodeca-6,10-dien-1-ol (CID 11160445) is (3S,6E)-3,7,11-trimethyldodeca-6,10-dien-1-ol.
What is the SMILES notation for (3S,6E)-3,7,11-trimethyldodeca-6,10-dien-1-ol?
The canonical SMILES for (3S,6E)-3,7,11-trimethyldodeca-6,10-dien-1-ol is CC(C)=CCC/C(C)=C/CC[C@H](C)CCO.
What is the InChIKey of (3S,6E)-3,7,11-trimethyldodeca-6,10-dien-1-ol?
The InChIKey is OOOOFOPLSIWRAR-HNRFISLBSA-N. The full InChI is InChI=1S/C15H28O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,15-16H,5-6,8,10-12H2,1-4H3/b14-9+/t15-/m0/s1.
What are the key properties of (3S,6E)-3,7,11-trimethyldodeca-6,10-dien-1-ol?
(3S,6E)-3,7,11-trimethyldodeca-6,10-dien-1-ol has a molecular weight of 224.39 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6E)-3,7,11-trimethyldodeca-6,10-dien-1-ol is sourced from PubChem (CID 11160445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).