(1R,2S,6S)-6-methylbicyclo[4.1.0]heptan-2-ol

C8H14O — CID 10931443

IUPAC(1R,2S,6S)-6-methylbicyclo[4.1.0]heptan-2-ol
SMILESC[C@@]12CCC[C@H](O)[C@@H]1C2
InChIInChI=1S/C8H14O/c1-8-4-2-3-7(9)6(8)5-8/h6-7,9H,2-5H2,1H3/t6-,7-,8-/m0/s1
InChIKeyIYHFQMCKRKRGHN-FXQIFTODSA-N
MW126.20 g/mol
LogP1.56
Rot. Bonds

About (1R,2S,6S)-6-methylbicyclo[4.1.0]heptan-2-ol

(1R,2S,6S)-6-methylbicyclo[4.1.0]heptan-2-ol (PubChem CID 10931443) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (1R,2S,6S)-6-methylbicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name(1R,2S,6S)-6-methylbicyclo[4.1.0]heptan-2-ol
PubChem CID10931443
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(1R,2S,6S)-6-methylbicyclo[4.1.0]heptan-2-ol
SMILESC[C@@]12CCC[C@H](O)[C@@H]1C2
InChIInChI=1S/C8H14O/c1-8-4-2-3-7(9)6(8)5-8/h6-7,9H,2-5H2,1H3/t6-,7-,8-/m0/s1
InChIKeyIYHFQMCKRKRGHN-FXQIFTODSA-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

Analyze (1R,2S,6S)-6-methylbicyclo[4.1.0]heptan-2-ol with MolForge

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Related Compounds

(4S,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 143298757
(1R,4aR)-4a,6-dimethyl-2,3,4,5,8,8a-hexahydro-1H-naphthalen-1-ol
CID 102119554
7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol
CID 143095782
(3aR)-1,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-4-ol
CID 154525596
(1S,2R,3R)-3-ethenyl-3-methylcyclohexane-1,2-diol
CID 155705531
(3S,4aS,5S,8aR)-3-(2-hydroxypropan-2-yl)-5,8a-dimethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-ol
CID 44559304
[(1S,2R,6R)-6-methyl-2-bicyclo[4.1.0]heptanyl] acetate
CID 11126665
7a-methyl-1,2,3,3a,4,7-hexahydroinden-4-ol
CID 72993379
4,6-dimethylbicyclo[4.1.0]heptan-2-ol
CID 130126006
(2S,3R,6R)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-2-ol
CID 131156042
(1S,2S,6R)-6-methyl-5-methylidenebicyclo[4.1.0]heptan-2-ol
CID 130992158
(1R,5S,9S)-5-methylbicyclo[3.3.1]non-2-en-9-ol
CID 130831174

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6S)-6-methylbicyclo[4.1.0]heptan-2-ol?
The IUPAC name of (1R,2S,6S)-6-methylbicyclo[4.1.0]heptan-2-ol (CID 10931443) is (1R,2S,6S)-6-methylbicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for (1R,2S,6S)-6-methylbicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for (1R,2S,6S)-6-methylbicyclo[4.1.0]heptan-2-ol is C[C@@]12CCC[C@H](O)[C@@H]1C2.
What is the InChIKey of (1R,2S,6S)-6-methylbicyclo[4.1.0]heptan-2-ol?
The InChIKey is IYHFQMCKRKRGHN-FXQIFTODSA-N. The full InChI is InChI=1S/C8H14O/c1-8-4-2-3-7(9)6(8)5-8/h6-7,9H,2-5H2,1H3/t6-,7-,8-/m0/s1.
What are the key properties of (1R,2S,6S)-6-methylbicyclo[4.1.0]heptan-2-ol?
(1R,2S,6S)-6-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 (1R,2S,6S)-6-methylbicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 10931443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).