(2S)-2-methylbicyclo[2.2.0]hexane

C7H12 — CID 174068638

IUPAC(2S)-2-methylbicyclo[2.2.0]hexane
SMILESC[C@H]1CC2CCC21
InChIInChI=1S/C7H12/c1-5-4-6-2-3-7(5)6/h5-7H,2-4H2,1H3/t5-,6?,7?/m0/s1
InChIKeyNQGRLLHQHNJTOF-VTSJMVTISA-N
MW96.17 g/mol
LogP2.05
Rot. Bonds

About (2S)-2-methylbicyclo[2.2.0]hexane

(2S)-2-methylbicyclo[2.2.0]hexane (PubChem CID 174068638) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is (2S)-2-methylbicyclo[2.2.0]hexane.

Molecular Properties

Compound Name(2S)-2-methylbicyclo[2.2.0]hexane
PubChem CID174068638
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name(2S)-2-methylbicyclo[2.2.0]hexane
SMILESC[C@H]1CC2CCC21
InChIInChI=1S/C7H12/c1-5-4-6-2-3-7(5)6/h5-7H,2-4H2,1H3/t5-,6?,7?/m0/s1
InChIKeyNQGRLLHQHNJTOF-VTSJMVTISA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3R)-2,3-dimethylbicyclo[3.2.0]heptane
CID 154561320
4-methyl-1,2,2a,3,4,4a,5,6,7,8,8a,8b-dodecahydrocyclobuta[a]naphthalene
CID 163896110
4-(3,4-dimethylcyclohexyl)-1-(3-fluoro-4-methylcyclohexyl)-2-methylcyclohexane
CID 167048717
6,16-dimethylheptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane
CID 91007754
(7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane
CID 144532112
(1S,2S)-2-methylbicyclo[3.1.0]hexane
CID 154518403
5-(4-hydroxy-2-methylcyclohexyl)-2-methylcyclohexan-1-ol
CID 139824932
1-[2-(2-cyclopropylcyclopropyl)cyclopropyl]-2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropane
CID 164717354
1-[2-(2-cyclopropylcyclopropyl)cyclopropyl]-2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropane;1-(2-cyclopropylcyclopropyl)-2-(2-methylcyclopropyl)cyclopropane;1-(2-cyclopropylcyclopropyl)-2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropane;1-cyclopropyl-2-(2-methylcyclopropyl)cyclopropane
CID 165057810
(1S,3R,4aR,8aS)-1,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751792
2,3-dimethylbicyclo[2.2.1]heptane;bis(2,3,5-trimethylbicyclo[2.2.1]heptane)
CID 160833489
(2S,5R,7R)-2,5,7-trimethylbicyclo[2.2.2]octane
CID 162406126

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylbicyclo[2.2.0]hexane?
The IUPAC name of (2S)-2-methylbicyclo[2.2.0]hexane (CID 174068638) is (2S)-2-methylbicyclo[2.2.0]hexane.
What is the SMILES notation for (2S)-2-methylbicyclo[2.2.0]hexane?
The canonical SMILES for (2S)-2-methylbicyclo[2.2.0]hexane is C[C@H]1CC2CCC21.
What is the InChIKey of (2S)-2-methylbicyclo[2.2.0]hexane?
The InChIKey is NQGRLLHQHNJTOF-VTSJMVTISA-N. The full InChI is InChI=1S/C7H12/c1-5-4-6-2-3-7(5)6/h5-7H,2-4H2,1H3/t5-,6?,7?/m0/s1.
What are the key properties of (2S)-2-methylbicyclo[2.2.0]hexane?
(2S)-2-methylbicyclo[2.2.0]hexane has a molecular weight of 96.17 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylbicyclo[2.2.0]hexane is sourced from PubChem (CID 174068638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).