1-methylbicyclo[4.1.0]heptan-2-ol

C8H14O — CID 130123042

IUPAC1-methylbicyclo[4.1.0]heptan-2-ol
SMILESCC12CC1CCCC2O
InChIInChI=1S/C8H14O/c1-8-5-6(8)3-2-4-7(8)9/h6-7,9H,2-5H2,1H3
InChIKeyBJNQHZNTLGBLAP-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.56
Rot. Bonds

About 1-methylbicyclo[4.1.0]heptan-2-ol

1-methylbicyclo[4.1.0]heptan-2-ol (PubChem CID 130123042) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-methylbicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name1-methylbicyclo[4.1.0]heptan-2-ol
PubChem CID130123042
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-methylbicyclo[4.1.0]heptan-2-ol
SMILESCC12CC1CCCC2O
InChIInChI=1S/C8H14O/c1-8-5-6(8)3-2-4-7(8)9/h6-7,9H,2-5H2,1H3
InChIKeyBJNQHZNTLGBLAP-UHFFFAOYSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl (2S,4aR,8R,8aS)-8-hydroxy-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-2-carboxylate
CID 10263110
(1R,4aR,8aS)-8a-methyl-2,3,4,4a,5,8-hexahydro-1H-naphthalen-1-ol
CID 101412393
2-cyclobutyl-2-methylpiperidin-3-ol
CID 115013634
(1R,4aR,8aR)-5,5,8a-trimethyl-1,2,3,4,4a,8-hexahydronaphthalen-1-ol
CID 165343121
1,2,3,4,5,6,7,7a-octahydroindene-3a,4-diol
CID 13396648
(1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane
CID 91146278
5-cyclobutyl-5-methylpyrrolidin-3-ol
CID 115012108
2-ethenyl-2,3-dimethylcyclohexan-1-ol
CID 14604704
2-cyclopentyl-2-methylpiperidin-3-ol
CID 115016550
(1'S,3'aR,7'aS)-7'a-methylspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,7-hexahydro-1H-indene]-1'-ol
CID 11183452
(1S,2S,4R,6S)-1,3,3-trimethylbicyclo[2.2.1]heptane-2,6-diol
CID 102249612
(1S,2R,4R,6R)-1-methyl-4-prop-1-en-2-ylbicyclo[4.1.0]heptan-2-ol
CID 124637804

Frequently Asked Questions

What is the IUPAC name of 1-methylbicyclo[4.1.0]heptan-2-ol?
The IUPAC name of 1-methylbicyclo[4.1.0]heptan-2-ol (CID 130123042) is 1-methylbicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for 1-methylbicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for 1-methylbicyclo[4.1.0]heptan-2-ol is CC12CC1CCCC2O.
What is the InChIKey of 1-methylbicyclo[4.1.0]heptan-2-ol?
The InChIKey is BJNQHZNTLGBLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-8-5-6(8)3-2-4-7(8)9/h6-7,9H,2-5H2,1H3.
What are the key properties of 1-methylbicyclo[4.1.0]heptan-2-ol?
1-methylbicyclo[4.1.0]heptan-2-ol has a molecular weight of 126.20 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylbicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 130123042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).