6-methylbicyclo[3.1.0]hexane-2,3-diol

C7H12O2 — CID 162735404

IUPAC6-methylbicyclo[3.1.0]hexane-2,3-diol
SMILESCC1C2CC(O)C(O)C12
InChIInChI=1S/C7H12O2/c1-3-4-2-5(8)7(9)6(3)4/h3-9H,2H2,1H3
InChIKeyGDQZXINWDYJFFO-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.01
Rot. Bonds

About 6-methylbicyclo[3.1.0]hexane-2,3-diol

6-methylbicyclo[3.1.0]hexane-2,3-diol (PubChem CID 162735404) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 6-methylbicyclo[3.1.0]hexane-2,3-diol.

Molecular Properties

Compound Name6-methylbicyclo[3.1.0]hexane-2,3-diol
PubChem CID162735404
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name6-methylbicyclo[3.1.0]hexane-2,3-diol
SMILESCC1C2CC(O)C(O)C12
InChIInChI=1S/C7H12O2/c1-3-4-2-5(8)7(9)6(3)4/h3-9H,2H2,1H3
InChIKeyGDQZXINWDYJFFO-UHFFFAOYSA-N
XLogP-0.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,3R,4S,5R)-4-methylcyclohexane-1,2,3,5-tetrol
CID 143582026
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
(4R)-tricyclo[5.2.1.02,6]decane-3,4-diol
CID 166987336
tricyclo[5.2.1.02,6]decane-3,4,9-triol
CID 13191206
(1S,2S,3R,4R,6R,7S)-tricyclo[5.2.1.02,6]decane-3,4-diol
CID 124812816
(1S,2S,3R,4S,5R)-5-methylcyclohexane-1,2,3,4-tetrol
CID 14158486
4,5,11,12-tetramethylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane
CID 23600006
(2R)-2,3-dimethylcyclopropan-1-ol
CID 173306707
(1R,2R,8S,9R)-9-methylbicyclo[6.1.0]nonan-2-ol
CID 13110212
(1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol
CID 10964847
bicyclo[2.2.1]heptane-2,5,7-triol
CID 22290058
actinium;5-(hydroxymethyl)-3-methylcyclohexane-1,2,4-triol
CID 59933789

Frequently Asked Questions

What is the IUPAC name of 6-methylbicyclo[3.1.0]hexane-2,3-diol?
The IUPAC name of 6-methylbicyclo[3.1.0]hexane-2,3-diol (CID 162735404) is 6-methylbicyclo[3.1.0]hexane-2,3-diol.
What is the SMILES notation for 6-methylbicyclo[3.1.0]hexane-2,3-diol?
The canonical SMILES for 6-methylbicyclo[3.1.0]hexane-2,3-diol is CC1C2CC(O)C(O)C12.
What is the InChIKey of 6-methylbicyclo[3.1.0]hexane-2,3-diol?
The InChIKey is GDQZXINWDYJFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-4-2-5(8)7(9)6(3)4/h3-9H,2H2,1H3.
What are the key properties of 6-methylbicyclo[3.1.0]hexane-2,3-diol?
6-methylbicyclo[3.1.0]hexane-2,3-diol has a molecular weight of 128.17 g/mol, XLogP of -0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylbicyclo[3.1.0]hexane-2,3-diol is sourced from PubChem (CID 162735404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).