4-ethenyl-4,8-dimethylnon-7-en-2-ol

C13H24O — CID 10397794

IUPAC4-ethenyl-4,8-dimethylnon-7-en-2-ol
SMILESC=CC(C)(CCC=C(C)C)CC(C)O
InChIInChI=1S/C13H24O/c1-6-13(5,10-12(4)14)9-7-8-11(2)3/h6,8,12,14H,1,7,9-10H2,2-5H3
InChIKeyXOXJIQZTXFBPOR-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.70
Rot. Bonds6

About 4-ethenyl-4,8-dimethylnon-7-en-2-ol

4-ethenyl-4,8-dimethylnon-7-en-2-ol (PubChem CID 10397794) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 4-ethenyl-4,8-dimethylnon-7-en-2-ol.

Molecular Properties

Compound Name4-ethenyl-4,8-dimethylnon-7-en-2-ol
PubChem CID10397794
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name4-ethenyl-4,8-dimethylnon-7-en-2-ol
SMILESC=CC(C)(CCC=C(C)C)CC(C)O
InChIInChI=1S/C13H24O/c1-6-13(5,10-12(4)14)9-7-8-11(2)3/h6,8,12,14H,1,7,9-10H2,2-5H3
InChIKeyXOXJIQZTXFBPOR-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-ethenyl-3,5,9-trimethyldec-8-enoic acid
CID 87972506
6-ethenyl-2,6-dimethyl-8-methylidenedec-2-ene
CID 154718981
3-ethenyl-3,7-dimethylocta-1,6-diene
CID 13122887
(2R)-3,3,7-trimethyloct-6-en-2-ol
CID 89306625
(6R)-6-ethenyl-4-hydroxy-6,10-dimethylundeca-3,9-dien-2-one
CID 162961639
(4E)-5,9-dimethyldeca-4,8-dienoic acid;3-ethenyl-3,7-dimethyloct-6-enoic acid
CID 174495173
3-ethenyl-2-ethyl-3,7-dimethyloct-6-enoic acid
CID 14910872
2-methyl-2-(4-methylpent-3-enyl)oct-7-enal
CID 11506828
(2E)-1-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-dien-1-ol
CID 87863906
(6R,7S)-7-ethenyl-7,11-dimethyldodec-10-en-6-ol
CID 10105646
3,7-dimethylocta-1,6-dien-3-ol;hexane
CID 135305503
4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol
CID 10966171

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-4,8-dimethylnon-7-en-2-ol?
The IUPAC name of 4-ethenyl-4,8-dimethylnon-7-en-2-ol (CID 10397794) is 4-ethenyl-4,8-dimethylnon-7-en-2-ol.
What is the SMILES notation for 4-ethenyl-4,8-dimethylnon-7-en-2-ol?
The canonical SMILES for 4-ethenyl-4,8-dimethylnon-7-en-2-ol is C=CC(C)(CCC=C(C)C)CC(C)O.
What is the InChIKey of 4-ethenyl-4,8-dimethylnon-7-en-2-ol?
The InChIKey is XOXJIQZTXFBPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-6-13(5,10-12(4)14)9-7-8-11(2)3/h6,8,12,14H,1,7,9-10H2,2-5H3.
What are the key properties of 4-ethenyl-4,8-dimethylnon-7-en-2-ol?
4-ethenyl-4,8-dimethylnon-7-en-2-ol has a molecular weight of 196.33 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4,8-dimethylnon-7-en-2-ol is sourced from PubChem (CID 10397794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).