2-methyl-3-[(2-methylcyclopropyl)methyl]bicyclo[2.2.0]hexane

C12H20 — CID 91468181

IUPAC2-methyl-3-[(2-methylcyclopropyl)methyl]bicyclo[2.2.0]hexane
SMILESCC1CC1CC1C(C)C2CCC21
InChIInChI=1S/C12H20/c1-7-5-9(7)6-12-8(2)10-3-4-11(10)12/h7-12H,3-6H2,1-2H3
InChIKeySPJUMBAHIKZOBU-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.32
Rot. Bonds2

About 2-methyl-3-[(2-methylcyclopropyl)methyl]bicyclo[2.2.0]hexane

2-methyl-3-[(2-methylcyclopropyl)methyl]bicyclo[2.2.0]hexane (PubChem CID 91468181) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2-methyl-3-[(2-methylcyclopropyl)methyl]bicyclo[2.2.0]hexane.

Molecular Properties

Compound Name2-methyl-3-[(2-methylcyclopropyl)methyl]bicyclo[2.2.0]hexane
PubChem CID91468181
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name2-methyl-3-[(2-methylcyclopropyl)methyl]bicyclo[2.2.0]hexane
SMILESCC1CC1CC1C(C)C2CCC21
InChIInChI=1S/C12H20/c1-7-5-9(7)6-12-8(2)10-3-4-11(10)12/h7-12H,3-6H2,1-2H3
InChIKeySPJUMBAHIKZOBU-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S)-1-methyl-2-[[(2R)-2-methylcyclopropyl]methyl]cyclopropane
CID 59524466
2,4,6-trimethyl-7-[(2-methylcyclopropyl)methyl]bicyclo[3.2.0]heptane
CID 90697583
1-(cyclopropylmethyl)-2-[(2-methylcyclopropyl)methyl]cyclopropane
CID 123233514
azane;5-methylbicyclo[2.1.0]pentane
CID 68525999
1,2,7,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 123566635
2,4-bis[(4-hydroxy-2,5-dimethylcyclohexyl)methyl]-3,6-dimethylcyclohexan-1-ol
CID 140638061
trans-(1R,2S)-1-methyl-2-[2-[(1R,2S)-2-methylcyclopropyl]ethyl]cyclopropane
CID 23638911
3,4,10-trimethyltricyclo[5.2.1.02,6]decane
CID 20593718
5-ethyl-6-methylbicyclo[2.1.1]hexane
CID 123324829
3,7,8-trimethylbicyclo[4.2.0]octane
CID 58950408
(7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane
CID 144532112
10-ethyl-6-methyltetracyclo[5.4.0.02,5.08,11]undecane
CID 143368983

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methylcyclopropyl)methyl]bicyclo[2.2.0]hexane?
The IUPAC name of 2-methyl-3-[(2-methylcyclopropyl)methyl]bicyclo[2.2.0]hexane (CID 91468181) is 2-methyl-3-[(2-methylcyclopropyl)methyl]bicyclo[2.2.0]hexane.
What is the SMILES notation for 2-methyl-3-[(2-methylcyclopropyl)methyl]bicyclo[2.2.0]hexane?
The canonical SMILES for 2-methyl-3-[(2-methylcyclopropyl)methyl]bicyclo[2.2.0]hexane is CC1CC1CC1C(C)C2CCC21.
What is the InChIKey of 2-methyl-3-[(2-methylcyclopropyl)methyl]bicyclo[2.2.0]hexane?
The InChIKey is SPJUMBAHIKZOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-7-5-9(7)6-12-8(2)10-3-4-11(10)12/h7-12H,3-6H2,1-2H3.
What are the key properties of 2-methyl-3-[(2-methylcyclopropyl)methyl]bicyclo[2.2.0]hexane?
2-methyl-3-[(2-methylcyclopropyl)methyl]bicyclo[2.2.0]hexane has a molecular weight of 164.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methylcyclopropyl)methyl]bicyclo[2.2.0]hexane is sourced from PubChem (CID 91468181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).