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

C8H14O — CID 98172819

IUPAC(1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol
SMILESC[C@]1(O)CCC[C@@H]2C[C@H]21
InChIInChI=1S/C8H14O/c1-8(9)4-2-3-6-5-7(6)8/h6-7,9H,2-5H2,1H3/t6-,7-,8+/m1/s1
InChIKeyMLCSQPJVFGFBLU-PRJMDXOYSA-N
MW126.20 g/mol
LogP1.56
Rot. Bonds

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

(1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol (PubChem CID 98172819) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name(1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol
PubChem CID98172819
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol
SMILESC[C@]1(O)CCC[C@@H]2C[C@H]21
InChIInChI=1S/C8H14O/c1-8(9)4-2-3-6-5-7(6)8/h6-7,9H,2-5H2,1H3/t6-,7-,8+/m1/s1
InChIKeyMLCSQPJVFGFBLU-PRJMDXOYSA-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,6R)-2-methylbicyclo[4.1.0]heptan-2-ol with MolForge

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Related Compounds

(11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol
CID 163869940
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
spiro[bicyclo[4.1.0]heptane-2,1'-cyclopentane]
CID 140625385
(1R,5R)-1,5-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-ol
CID 67375196
(4aS,5R,8aS)-5-methyl-2,3,4,4a,6,7,8,8a-octahydro-1H-quinolin-5-ol
CID 130792375
trans-(1R,2S)-2-chloro-1-methylcyclopentan-1-ol
CID 131071734
(1R,6S)-2,2-difluorobicyclo[4.1.0]heptane
CID 163491628
[(1R,2R)-2-hydroxy-2-methylcyclopentyl]azanium
CID 171460673
cis-(1R,2R)-1-methyl-2-propan-2-ylcyclopentan-1-ol
CID 158874958
4-(2-hydroxy-2-methylcyclopentyl)-2,2-dimethyloxolan-3-one
CID 130673696
2-(1-aminobutan-2-yl)bicyclo[4.1.0]heptan-2-ol
CID 130526368
(1R,2R,6S)-2-aminobicyclo[4.1.0]heptane-2-carboxylic acid
CID 124709963

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol?
The IUPAC name of (1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol (CID 98172819) is (1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for (1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for (1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol is C[C@]1(O)CCC[C@@H]2C[C@H]21.
What is the InChIKey of (1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol?
The InChIKey is MLCSQPJVFGFBLU-PRJMDXOYSA-N. The full InChI is InChI=1S/C8H14O/c1-8(9)4-2-3-6-5-7(6)8/h6-7,9H,2-5H2,1H3/t6-,7-,8+/m1/s1.
What are the key properties of (1R,2S,6R)-2-methylbicyclo[4.1.0]heptan-2-ol?
(1R,2S,6R)-2-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,6R)-2-methylbicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 98172819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).