(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-4-yn-1-ol

C15H22O — CID 11063915

IUPAC(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-4-yn-1-ol
SMILESCC(C)=CCC/C(C)=C/C#C/C(C)=C\CO
InChIInChI=1S/C15H22O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5,8,12H2,1-4H3/b14-9+,15-11-
InChIKeyCBWALXKHHJNNLV-PVMFERMNSA-N
MW218.34 g/mol
LogP3.62
Rot. Bonds4

About (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-4-yn-1-ol

(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-4-yn-1-ol (PubChem CID 11063915) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-4-yn-1-ol.

Molecular Properties

Compound Name(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-4-yn-1-ol
PubChem CID11063915
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-4-yn-1-ol
SMILESCC(C)=CCC/C(C)=C/C#C/C(C)=C\CO
InChIInChI=1S/C15H22O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5,8,12H2,1-4H3/b14-9+,15-11-
InChIKeyCBWALXKHHJNNLV-PVMFERMNSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-4-yn-1-ol?
The IUPAC name of (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-4-yn-1-ol (CID 11063915) is (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-4-yn-1-ol.
What is the SMILES notation for (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-4-yn-1-ol?
The canonical SMILES for (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-4-yn-1-ol is CC(C)=CCC/C(C)=C/C#C/C(C)=C\CO.
What is the InChIKey of (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-4-yn-1-ol?
The InChIKey is CBWALXKHHJNNLV-PVMFERMNSA-N. The full InChI is InChI=1S/C15H22O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5,8,12H2,1-4H3/b14-9+,15-11-.
What are the key properties of (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-4-yn-1-ol?
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-4-yn-1-ol has a molecular weight of 218.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-4-yn-1-ol is sourced from PubChem (CID 11063915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).