3,4-dimethylidenehexan-2-ol

C8H14O — CID 130126331

IUPAC3,4-dimethylidenehexan-2-ol
SMILESC=C(CC)C(=C)C(C)O
InChIInChI=1S/C8H14O/c1-5-6(2)7(3)8(4)9/h8-9H,2-3,5H2,1,4H3
InChIKeyOQKOTJHSMUNCGZ-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.89
Rot. Bonds3

About 3,4-dimethylidenehexan-2-ol

3,4-dimethylidenehexan-2-ol (PubChem CID 130126331) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3,4-dimethylidenehexan-2-ol.

Molecular Properties

Compound Name3,4-dimethylidenehexan-2-ol
PubChem CID130126331
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3,4-dimethylidenehexan-2-ol
SMILESC=C(CC)C(=C)C(C)O
InChIInChI=1S/C8H14O/c1-5-6(2)7(3)8(4)9/h8-9H,2-3,5H2,1,4H3
InChIKeyOQKOTJHSMUNCGZ-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-6,7-dimethylidenenon-1-ene
CID 142109737
N-butan-2-yl-3,4-dimethylidenehexan-2-amine
CID 91069547
ethyl (3S)-3-hydroxy-2-methylidenebutanoate
CID 11094746
2-fluoro-3-methylidenepentane
CID 89209317
(3S)-3-hydroxy-2-methylidenebutanoic acid
CID 130723664
(2S,3S)-3-methyl-4-methylidenehexan-2-ol
CID 130747070
[(2S)-2-methylbutyl] (3S)-3-hydroxy-2-methylidenebutanoate
CID 163002337
5-methylideneheptane-2,4-diol
CID 140987994
2,3,4-trimethylpentan-3-yl 2-methylidenebutanoate
CID 156770773
2-hydroxypropanoic acid;propanoic acid
CID 175004384
2-methyl-4-methylidenehex-2-en-3-ol
CID 177162520
3-methylidenepentane-2-thiol
CID 57045878

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylidenehexan-2-ol?
The IUPAC name of 3,4-dimethylidenehexan-2-ol (CID 130126331) is 3,4-dimethylidenehexan-2-ol.
What is the SMILES notation for 3,4-dimethylidenehexan-2-ol?
The canonical SMILES for 3,4-dimethylidenehexan-2-ol is C=C(CC)C(=C)C(C)O.
What is the InChIKey of 3,4-dimethylidenehexan-2-ol?
The InChIKey is OQKOTJHSMUNCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-5-6(2)7(3)8(4)9/h8-9H,2-3,5H2,1,4H3.
What are the key properties of 3,4-dimethylidenehexan-2-ol?
3,4-dimethylidenehexan-2-ol has a molecular weight of 126.20 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylidenehexan-2-ol is sourced from PubChem (CID 130126331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).