3,7,11-trimethyldodeca-2,6,10-trien-1-ol

C15H26O — CID 3327

IUPAC3,7,11-trimethyldodeca-2,6,10-trien-1-ol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCO
InChIInChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3
InChIKeyCRDAMVZIKSXKFV-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.40
Rot. Bonds7

About 3,7,11-trimethyldodeca-2,6,10-trien-1-ol

3,7,11-trimethyldodeca-2,6,10-trien-1-ol (PubChem CID 3327) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 3,7,11-trimethyldodeca-2,6,10-trien-1-ol.

Molecular Properties

Compound Name3,7,11-trimethyldodeca-2,6,10-trien-1-ol
PubChem CID3327
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name3,7,11-trimethyldodeca-2,6,10-trien-1-ol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCO
InChIInChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3
InChIKeyCRDAMVZIKSXKFV-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.40
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 3,7,11-trimethyldodeca-2,6,10-trien-1-ol?
The IUPAC name of 3,7,11-trimethyldodeca-2,6,10-trien-1-ol (CID 3327) is 3,7,11-trimethyldodeca-2,6,10-trien-1-ol.
What is the SMILES notation for 3,7,11-trimethyldodeca-2,6,10-trien-1-ol?
The canonical SMILES for 3,7,11-trimethyldodeca-2,6,10-trien-1-ol is CC(C)=CCCC(C)=CCCC(C)=CCO.
What is the InChIKey of 3,7,11-trimethyldodeca-2,6,10-trien-1-ol?
The InChIKey is CRDAMVZIKSXKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3.
What are the key properties of 3,7,11-trimethyldodeca-2,6,10-trien-1-ol?
3,7,11-trimethyldodeca-2,6,10-trien-1-ol has a molecular weight of 222.37 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyldodeca-2,6,10-trien-1-ol is sourced from PubChem (CID 3327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).