2-methyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane

C12H22 — CID 123732061

IUPAC2-methyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane
SMILESCC(C)CC12CC1C2(C)C(C)C
InChIInChI=1S/C12H22/c1-8(2)6-12-7-10(12)11(12,5)9(3)4/h8-10H,6-7H2,1-5H3
InChIKeyOXSVTFZOZTZISO-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.71
Rot. Bonds3

About 2-methyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane

2-methyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane (PubChem CID 123732061) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane
PubChem CID123732061
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name2-methyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane
SMILESCC(C)CC12CC1C2(C)C(C)C
InChIInChI=1S/C12H22/c1-8(2)6-12-7-10(12)11(12,5)9(3)4/h8-10H,6-7H2,1-5H3
InChIKeyOXSVTFZOZTZISO-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane
CID 123429652
1-(2-methylpropyl)bicyclo[1.1.0]butane
CID 90914425
1,2,2,3-tetramethyl-1-(2-methylpropyl)cyclobutane
CID 123680951
1,2,3-trimethyl-1-(2-methylpropyl)cyclobutane
CID 91220382
1-(2-methylpropyl)-2-propan-2-ylcyclopropan-1-ol
CID 141284880
5-(2-methylpropyl)-3-propyltetracyclo[3.2.1.01,4.04,6]octane
CID 123956771
2,4-dimethyl-4-(2-methylpropyl)pyrrolidine
CID 166463716
1,1,2-trimethyl-2-(2-methylpropyl)cyclopropane
CID 123147679
1,2-dimethyl-1-(4-methylpentan-2-yl)cyclopropane
CID 123348354
(1R)-7,7-dimethyl-1-(2-methylpropyl)bicyclo[2.2.1]heptan-2-one
CID 121356054
1-methyl-1-propan-2-yl-3-propylcyclobutane
CID 91462890
[2,2-bis(2-methylpropyl)cyclopropyl]methanamine
CID 114868694

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane?
The IUPAC name of 2-methyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane (CID 123732061) is 2-methyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane.
What is the SMILES notation for 2-methyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane?
The canonical SMILES for 2-methyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane is CC(C)CC12CC1C2(C)C(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane?
The InChIKey is OXSVTFZOZTZISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-8(2)6-12-7-10(12)11(12,5)9(3)4/h8-10H,6-7H2,1-5H3.
What are the key properties of 2-methyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane?
2-methyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane has a molecular weight of 166.31 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropyl)-2-propan-2-ylbicyclo[1.1.0]butane is sourced from PubChem (CID 123732061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).