4,6-dimethylbicyclo[4.1.0]heptan-2-ol

C9H16O — CID 130126006

IUPAC4,6-dimethylbicyclo[4.1.0]heptan-2-ol
SMILESCC1CC(O)C2CC2(C)C1
InChIInChI=1S/C9H16O/c1-6-3-8(10)7-5-9(7,2)4-6/h6-8,10H,3-5H2,1-2H3
InChIKeyNMGUFSQXQCBMQS-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.80
Rot. Bonds

About 4,6-dimethylbicyclo[4.1.0]heptan-2-ol

4,6-dimethylbicyclo[4.1.0]heptan-2-ol (PubChem CID 130126006) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4,6-dimethylbicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name4,6-dimethylbicyclo[4.1.0]heptan-2-ol
PubChem CID130126006
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4,6-dimethylbicyclo[4.1.0]heptan-2-ol
SMILESCC1CC(O)C2CC2(C)C1
InChIInChI=1S/C9H16O/c1-6-3-8(10)7-5-9(7,2)4-6/h6-8,10H,3-5H2,1-2H3
InChIKeyNMGUFSQXQCBMQS-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2-(1-methylcyclopropyl)cyclohexan-1-ol
CID 130125033
azane;1,3-dimethylbicyclo[3.1.0]hexane
CID 175419349
(1R,2R,5R)-5-methyl-2-(2-methyl-1,3-dioxolan-2-yl)cyclohexan-1-ol
CID 162453236
1,3-dimethylbicyclo[2.1.0]pentane
CID 91176619
(1R,2S,6S)-6-methylbicyclo[4.1.0]heptan-2-ol
CID 10931443
(1S,4R,5S)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 131134241
(1S,2S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 102239210
(1S,4R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 175710534
1-methyltricyclo[5.2.1.02,6]decane-4,8-diol
CID 70536291
(1R,3aR,4S,6S,7aR)-3,3,6-trimethyl-1,2,3a,4,5,6,7,7a-octahydroindene-1,4-diol
CID 10559883
(1S,2R,4S,5R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,5-diol
CID 129321785
1,5,7,7-tetramethylbicyclo[2.2.1]heptan-2-ol
CID 89021501

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylbicyclo[4.1.0]heptan-2-ol?
The IUPAC name of 4,6-dimethylbicyclo[4.1.0]heptan-2-ol (CID 130126006) is 4,6-dimethylbicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for 4,6-dimethylbicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for 4,6-dimethylbicyclo[4.1.0]heptan-2-ol is CC1CC(O)C2CC2(C)C1.
What is the InChIKey of 4,6-dimethylbicyclo[4.1.0]heptan-2-ol?
The InChIKey is NMGUFSQXQCBMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-6-3-8(10)7-5-9(7,2)4-6/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 4,6-dimethylbicyclo[4.1.0]heptan-2-ol?
4,6-dimethylbicyclo[4.1.0]heptan-2-ol has a molecular weight of 140.23 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylbicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 130126006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).