3-methylbutan-2-ol;1-methylcyclohexene

C12H24O — CID 67860970

IUPAC3-methylbutan-2-ol;1-methylcyclohexene
SMILESCC(C)C(C)O.CC1=CCCCC1
InChIInChI=1S/C7H12.C5H12O/c1-7-5-3-2-4-6-7;1-4(2)5(3)6/h5H,2-4,6H2,1H3;4-6H,1-3H3
InChIKeyKZAVQLZNNYBSFW-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.53
Rot. Bonds1

About 3-methylbutan-2-ol;1-methylcyclohexene

3-methylbutan-2-ol;1-methylcyclohexene (PubChem CID 67860970) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 3-methylbutan-2-ol;1-methylcyclohexene.

Molecular Properties

Compound Name3-methylbutan-2-ol;1-methylcyclohexene
PubChem CID67860970
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name3-methylbutan-2-ol;1-methylcyclohexene
SMILESCC(C)C(C)O.CC1=CCCCC1
InChIInChI=1S/C7H12.C5H12O/c1-7-5-3-2-4-6-7;1-4(2)5(3)6/h5H,2-4,6H2,1H3;4-6H,1-3H3
InChIKeyKZAVQLZNNYBSFW-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.53
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

1-methylcyclohexene;hydrofluoride
CID 157219805
acetylene;1-methylcyclohexene
CID 145280126
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CID 170661208
(5E)-5-methylcyclodec-5-en-1-one
CID 91999236
1-(cyclohexen-1-yl)ethane-1,2-diol
CID 10964616
(1E,5E)-1,5,9-trimethylcyclododeca-1,5,9-triene
CID 139597866
(1Z,5Z)-1,6-dimethylcycloocta-1,5-diene
CID 5365761
1-methylcyclohexene;1-methyl-4-(trifluoromethyl)benzene
CID 158493904
tris(cyclodecane-1,1-dicarboxylic acid);cyclodecene;(1Z)-1-methylcyclodecene
CID 173429173
cyclohexen-1-ylmethanediol
CID 21392290
1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol
CID 12622752
1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one
CID 106655769

Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-2-ol;1-methylcyclohexene?
The IUPAC name of 3-methylbutan-2-ol;1-methylcyclohexene (CID 67860970) is 3-methylbutan-2-ol;1-methylcyclohexene.
What is the SMILES notation for 3-methylbutan-2-ol;1-methylcyclohexene?
The canonical SMILES for 3-methylbutan-2-ol;1-methylcyclohexene is CC(C)C(C)O.CC1=CCCCC1.
What is the InChIKey of 3-methylbutan-2-ol;1-methylcyclohexene?
The InChIKey is KZAVQLZNNYBSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.C5H12O/c1-7-5-3-2-4-6-7;1-4(2)5(3)6/h5H,2-4,6H2,1H3;4-6H,1-3H3.
What are the key properties of 3-methylbutan-2-ol;1-methylcyclohexene?
3-methylbutan-2-ol;1-methylcyclohexene has a molecular weight of 184.32 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-2-ol;1-methylcyclohexene is sourced from PubChem (CID 67860970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).