(5E)-3-ethynyl-6,10-dimethylundeca-5,9-dien-1-ol

C15H24O — CID 134866262

IUPAC(5E)-3-ethynyl-6,10-dimethylundeca-5,9-dien-1-ol
SMILESC#CC(C/C=C(\C)CCC=C(C)C)CCO
InChIInChI=1S/C15H24O/c1-5-15(11-12-16)10-9-14(4)8-6-7-13(2)3/h1,7,9,15-16H,6,8,10-12H2,2-4H3/b14-9+
InChIKeyAJBQMUIUBDJJNF-NTEUORMPSA-N
MW220.36 g/mol
LogP3.70
Rot. Bonds7

About (5E)-3-ethynyl-6,10-dimethylundeca-5,9-dien-1-ol

(5E)-3-ethynyl-6,10-dimethylundeca-5,9-dien-1-ol (PubChem CID 134866262) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (5E)-3-ethynyl-6,10-dimethylundeca-5,9-dien-1-ol.

Molecular Properties

Compound Name(5E)-3-ethynyl-6,10-dimethylundeca-5,9-dien-1-ol
PubChem CID134866262
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(5E)-3-ethynyl-6,10-dimethylundeca-5,9-dien-1-ol
SMILESC#CC(C/C=C(\C)CCC=C(C)C)CCO
InChIInChI=1S/C15H24O/c1-5-15(11-12-16)10-9-14(4)8-6-7-13(2)3/h1,7,9,15-16H,6,8,10-12H2,2-4H3/b14-9+
InChIKeyAJBQMUIUBDJJNF-NTEUORMPSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.70
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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Related Compounds

(-)-Lavandulol
CID 5464156
Lavandulol, (+-)-
CID 94060
2,6-Dimethyl-5-hepten-1-ol
CID 240230
(5E)-2,6,10-Trimethyl-5,9-undecadien-1-ol
CID 6364638
2,6,10-Trimethylundeca-5,9-dienol
CID 91116
5-Octen-1-ol, 6-ethyl-3-methyl-
CID 117305
(Z)-Sesquilavandulol
CID 5352147
(S)-Lavandulol
CID 68133
Lasiol
CID 11480574
2,3,6-Trimethylhept-5-en-1-ol
CID 131384
(R)-Sesquilavandulol
CID 11831047
(2S,3R)-2,3,6-trimethylhept-5-en-1-ol
CID 11030070

Frequently Asked Questions

What is the IUPAC name of (5E)-3-ethynyl-6,10-dimethylundeca-5,9-dien-1-ol?
The IUPAC name of (5E)-3-ethynyl-6,10-dimethylundeca-5,9-dien-1-ol (CID 134866262) is (5E)-3-ethynyl-6,10-dimethylundeca-5,9-dien-1-ol.
What is the SMILES notation for (5E)-3-ethynyl-6,10-dimethylundeca-5,9-dien-1-ol?
The canonical SMILES for (5E)-3-ethynyl-6,10-dimethylundeca-5,9-dien-1-ol is C#CC(C/C=C(\C)CCC=C(C)C)CCO.
What is the InChIKey of (5E)-3-ethynyl-6,10-dimethylundeca-5,9-dien-1-ol?
The InChIKey is AJBQMUIUBDJJNF-NTEUORMPSA-N. The full InChI is InChI=1S/C15H24O/c1-5-15(11-12-16)10-9-14(4)8-6-7-13(2)3/h1,7,9,15-16H,6,8,10-12H2,2-4H3/b14-9+.
What are the key properties of (5E)-3-ethynyl-6,10-dimethylundeca-5,9-dien-1-ol?
(5E)-3-ethynyl-6,10-dimethylundeca-5,9-dien-1-ol has a molecular weight of 220.36 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethynyl-6,10-dimethylundeca-5,9-dien-1-ol is sourced from PubChem (CID 134866262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).