2-(5-methylheptan-3-yl)bicyclo[1.1.0]butane

C12H22 — CID 123495492

IUPAC2-(5-methylheptan-3-yl)bicyclo[1.1.0]butane
SMILESCCC(C)CC(CC)C1C2CC21
InChIInChI=1S/C12H22/c1-4-8(3)6-9(5-2)12-10-7-11(10)12/h8-12H,4-7H2,1-3H3
InChIKeyLRPMAJNBBYRLBE-UHFFFAOYSA-N
MW166.31 g/mol
LogP3.71
Rot. Bonds5

About 2-(5-methylheptan-3-yl)bicyclo[1.1.0]butane

2-(5-methylheptan-3-yl)bicyclo[1.1.0]butane (PubChem CID 123495492) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2-(5-methylheptan-3-yl)bicyclo[1.1.0]butane.

Molecular Properties

Compound Name2-(5-methylheptan-3-yl)bicyclo[1.1.0]butane
PubChem CID123495492
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name2-(5-methylheptan-3-yl)bicyclo[1.1.0]butane
SMILESCCC(C)CC(CC)C1C2CC21
InChIInChI=1S/C12H22/c1-4-8(3)6-9(5-2)12-10-7-11(10)12/h8-12H,4-7H2,1-3H3
InChIKeyLRPMAJNBBYRLBE-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
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

Analyze 2-(5-methylheptan-3-yl)bicyclo[1.1.0]butane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-dimethyl-2-(5-methylheptan-3-yl)cyclopentane
CID 123939374
5-pentan-3-ylbicyclo[2.1.0]pentane
CID 123841623
1-methyl-2-(5-methyloctan-3-yl)cyclopropane
CID 123251321
3,5-dimethylheptane;ethane
CID 172617343
3-ethyl-2-methyl-6-(8-methyldecan-3-yl)-1,1a,2,2a,3,4,5,5a,6,6a-decahydrocyclopropa[f]indene
CID 123700316
1-(6-bicyclo[3.1.0]hexanyl)-3-methylpentan-1-ol
CID 115789262
(4S)-2,4-dimethylhexane
CID 22810193
2-butan-2-yl-3-ethylbicyclo[2.1.0]pentane
CID 123963440
3-methyl-1-(2-methylcyclopropyl)pentan-1-amine
CID 65419955
1-(6-bicyclo[3.1.0]hexanyl)-N,3-dimethylpentan-1-amine
CID 115846091
2-cyclopentyl-4-methyl-N-propan-2-ylhexan-1-amine
CID 112569973
(4R)-2,4-dimethylhexane;methane
CID 157133469

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylheptan-3-yl)bicyclo[1.1.0]butane?
The IUPAC name of 2-(5-methylheptan-3-yl)bicyclo[1.1.0]butane (CID 123495492) is 2-(5-methylheptan-3-yl)bicyclo[1.1.0]butane.
What is the SMILES notation for 2-(5-methylheptan-3-yl)bicyclo[1.1.0]butane?
The canonical SMILES for 2-(5-methylheptan-3-yl)bicyclo[1.1.0]butane is CCC(C)CC(CC)C1C2CC21.
What is the InChIKey of 2-(5-methylheptan-3-yl)bicyclo[1.1.0]butane?
The InChIKey is LRPMAJNBBYRLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-8(3)6-9(5-2)12-10-7-11(10)12/h8-12H,4-7H2,1-3H3.
What are the key properties of 2-(5-methylheptan-3-yl)bicyclo[1.1.0]butane?
2-(5-methylheptan-3-yl)bicyclo[1.1.0]butane has a molecular weight of 166.31 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylheptan-3-yl)bicyclo[1.1.0]butane is sourced from PubChem (CID 123495492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).