(2S,5S)-2,5-dimethylbicyclo[3.1.0]hexan-2-ol

C8H14O — CID 130436896

IUPAC(2S,5S)-2,5-dimethylbicyclo[3.1.0]hexan-2-ol
SMILESC[C@@]12CC[C@](C)(O)C1C2
InChIInChI=1S/C8H14O/c1-7-3-4-8(2,9)6(7)5-7/h6,9H,3-5H2,1-2H3/t6?,7-,8-/m0/s1
InChIKeyWRMCQASCOUFUPF-ALKRTJFJSA-N
MW126.20 g/mol
LogP1.56
Rot. Bonds

About (2S,5S)-2,5-dimethylbicyclo[3.1.0]hexan-2-ol

(2S,5S)-2,5-dimethylbicyclo[3.1.0]hexan-2-ol (PubChem CID 130436896) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2S,5S)-2,5-dimethylbicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name(2S,5S)-2,5-dimethylbicyclo[3.1.0]hexan-2-ol
PubChem CID130436896
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2S,5S)-2,5-dimethylbicyclo[3.1.0]hexan-2-ol
SMILESC[C@@]12CC[C@](C)(O)C1C2
InChIInChI=1S/C8H14O/c1-7-3-4-8(2,9)6(7)5-7/h6,9H,3-5H2,1-2H3/t6?,7-,8-/m0/s1
InChIKeyWRMCQASCOUFUPF-ALKRTJFJSA-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 (2S,5S)-2,5-dimethylbicyclo[3.1.0]hexan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,4aR,7S,8aR)-1,4a-dimethyl-7-propan-2-yl-3,4,5,6,8,8a-hexahydro-2H-naphthalene-1,6,7-triol
CID 91221859
7-(2-methoxypropan-2-yl)-1,4a-dimethyl-3,4,5,6,8,8a-hexahydro-2H-naphthalene-1,7-diol
CID 146116117
(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 51004058
(1S,2R)-2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 91871275
(1S,6S)-6-methyl-3-propan-2-ylbicyclo[4.1.0]heptan-3-ol
CID 67160199
4,4-difluoro-1-methylbicyclo[4.1.0]heptane
CID 139551138
2-methyl-5-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)bicyclo[3.1.1]heptan-2-ol
CID 90206709
(2R)-2-methylbicyclo[2.2.2]octan-2-ol
CID 13329636
1-methylbicyclo[2.2.1]heptane-7,7-diol
CID 154099151
trans-(1R,2S)-1,2-dimethylcyclopentan-1-ol
CID 13057535
(1R,3R,4R)-1,3,4-trimethylcyclopentane-1,3-diol
CID 10486972
(3R,6S,9S)-N,3,6-trimethyl-9-propan-2-yltricyclo[4.3.1.03,7]decan-9-amine
CID 163132148

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,5-dimethylbicyclo[3.1.0]hexan-2-ol?
The IUPAC name of (2S,5S)-2,5-dimethylbicyclo[3.1.0]hexan-2-ol (CID 130436896) is (2S,5S)-2,5-dimethylbicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for (2S,5S)-2,5-dimethylbicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for (2S,5S)-2,5-dimethylbicyclo[3.1.0]hexan-2-ol is C[C@@]12CC[C@](C)(O)C1C2.
What is the InChIKey of (2S,5S)-2,5-dimethylbicyclo[3.1.0]hexan-2-ol?
The InChIKey is WRMCQASCOUFUPF-ALKRTJFJSA-N. The full InChI is InChI=1S/C8H14O/c1-7-3-4-8(2,9)6(7)5-7/h6,9H,3-5H2,1-2H3/t6?,7-,8-/m0/s1.
What are the key properties of (2S,5S)-2,5-dimethylbicyclo[3.1.0]hexan-2-ol?
(2S,5S)-2,5-dimethylbicyclo[3.1.0]hexan-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 (2S,5S)-2,5-dimethylbicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 130436896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).