1-methyl-2-(2-methylpropyl)-4-propylbicyclo[1.1.0]butane

C12H22 — CID 123738417

IUPAC1-methyl-2-(2-methylpropyl)-4-propylbicyclo[1.1.0]butane
SMILESCCCC1C2C(CC(C)C)C12C
InChIInChI=1S/C12H22/c1-5-6-9-11-10(7-8(2)3)12(9,11)4/h8-11H,5-7H2,1-4H3
InChIKeyXVPYUSNKYZOHDO-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.71
Rot. Bonds4

About 1-methyl-2-(2-methylpropyl)-4-propylbicyclo[1.1.0]butane

1-methyl-2-(2-methylpropyl)-4-propylbicyclo[1.1.0]butane (PubChem CID 123738417) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-methyl-2-(2-methylpropyl)-4-propylbicyclo[1.1.0]butane.

Molecular Properties

Compound Name1-methyl-2-(2-methylpropyl)-4-propylbicyclo[1.1.0]butane
PubChem CID123738417
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-methyl-2-(2-methylpropyl)-4-propylbicyclo[1.1.0]butane
SMILESCCCC1C2C(CC(C)C)C12C
InChIInChI=1S/C12H22/c1-5-6-9-11-10(7-8(2)3)12(9,11)4/h8-11H,5-7H2,1-4H3
InChIKeyXVPYUSNKYZOHDO-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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-methyl-1-propan-2-yl-3-propylcyclopropane
CID 123845526
1-[2,2-dimethyl-3-(2-methylpropyl)cyclopropyl]cyclopropan-1-ol
CID 130446966
1,2-dimethyl-1-(3-methylbutan-2-yl)-3-propylcyclopropane
CID 123900503
1,1-diethyl-2-propan-2-yl-3-propylcyclopropane
CID 91439664
cis-(2S,3R)-1,1-dichloro-2,3-dipropylcyclopropane
CID 134889174
1-(2-methylpropyl)-3-propylcyclopentane
CID 14325896
1,2-diethyl-1-methyl-3-propylcyclopropane
CID 90731440
1,1-dichloro-2-methyl-3-propylcyclopropane
CID 13285011
1-methyl-1-propan-2-yl-3-propylcyclobutane
CID 91462890
2-ethyl-1,1-dimethyl-3-(3-methylbutyl)cyclopropane
CID 123420159
2-propyladamantan-1-amine
CID 70624849
3-(2-methylpropyl)-5-propylcyclohexan-1-ol
CID 58534540

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylpropyl)-4-propylbicyclo[1.1.0]butane?
The IUPAC name of 1-methyl-2-(2-methylpropyl)-4-propylbicyclo[1.1.0]butane (CID 123738417) is 1-methyl-2-(2-methylpropyl)-4-propylbicyclo[1.1.0]butane.
What is the SMILES notation for 1-methyl-2-(2-methylpropyl)-4-propylbicyclo[1.1.0]butane?
The canonical SMILES for 1-methyl-2-(2-methylpropyl)-4-propylbicyclo[1.1.0]butane is CCCC1C2C(CC(C)C)C12C.
What is the InChIKey of 1-methyl-2-(2-methylpropyl)-4-propylbicyclo[1.1.0]butane?
The InChIKey is XVPYUSNKYZOHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-5-6-9-11-10(7-8(2)3)12(9,11)4/h8-11H,5-7H2,1-4H3.
What are the key properties of 1-methyl-2-(2-methylpropyl)-4-propylbicyclo[1.1.0]butane?
1-methyl-2-(2-methylpropyl)-4-propylbicyclo[1.1.0]butane has a molecular weight of 166.31 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylpropyl)-4-propylbicyclo[1.1.0]butane is sourced from PubChem (CID 123738417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).