4,8-dimethylnon-7-en-1-yn-3-ol

C11H18O — CID 85365071

IUPAC4,8-dimethylnon-7-en-1-yn-3-ol
SMILESC#CC(O)C(C)CCC=C(C)C
InChIInChI=1S/C11H18O/c1-5-11(12)10(4)8-6-7-9(2)3/h1,7,10-12H,6,8H2,2-4H3
InChIKeyILQPUDXOHIWXJY-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.36
Rot. Bonds4

About 4,8-dimethylnon-7-en-1-yn-3-ol

4,8-dimethylnon-7-en-1-yn-3-ol (PubChem CID 85365071) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 4,8-dimethylnon-7-en-1-yn-3-ol.

Molecular Properties

Compound Name4,8-dimethylnon-7-en-1-yn-3-ol
PubChem CID85365071
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name4,8-dimethylnon-7-en-1-yn-3-ol
SMILESC#CC(O)C(C)CCC=C(C)C
InChIInChI=1S/C11H18O/c1-5-11(12)10(4)8-6-7-9(2)3/h1,7,10-12H,6,8H2,2-4H3
InChIKeyILQPUDXOHIWXJY-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.36
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

Citronellol
CID 8842
Beta-citronellol, (S)-
CID 7793
beta-CITRONELLOL, (R)-
CID 101977
6,10-Dodecadien-1-ol, 3,7,11-trimethyl-
CID 439223
2,4,7-Trimethyloct-6-en-1-ol
CID 126505187
4,8-Dimethyl-7-nonen-2-ol
CID 162418
3,7-Dimethylnon-6-en-1-ol
CID 544330
Dihydrofarnesol
CID 5280341
3S,7,11-Trimethyl-6E,10-dodecadien-1-ol
CID 11160445
5,9-Dimethyl-8-decen-3-ol
CID 89186
2,3-Dihydrofarnesol
CID 15584898
(3R,6E)-3,7,11-trimethyldodeca-6,10-dien-1-ol
CID 76971208

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethylnon-7-en-1-yn-3-ol?
The IUPAC name of 4,8-dimethylnon-7-en-1-yn-3-ol (CID 85365071) is 4,8-dimethylnon-7-en-1-yn-3-ol.
What is the SMILES notation for 4,8-dimethylnon-7-en-1-yn-3-ol?
The canonical SMILES for 4,8-dimethylnon-7-en-1-yn-3-ol is C#CC(O)C(C)CCC=C(C)C.
What is the InChIKey of 4,8-dimethylnon-7-en-1-yn-3-ol?
The InChIKey is ILQPUDXOHIWXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-5-11(12)10(4)8-6-7-9(2)3/h1,7,10-12H,6,8H2,2-4H3.
What are the key properties of 4,8-dimethylnon-7-en-1-yn-3-ol?
4,8-dimethylnon-7-en-1-yn-3-ol has a molecular weight of 166.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethylnon-7-en-1-yn-3-ol is sourced from PubChem (CID 85365071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).