1-butyl-2-(2-methylpentyl)cyclopropane;ethane;propane

C20H46 — CID 142190190

IUPAC1-butyl-2-(2-methylpentyl)cyclopropane;ethane;propane
SMILESCC.CC.CCC.CCCCC1CC1CC(C)CCC
InChIInChI=1S/C13H26.C3H8.2C2H6/c1-4-6-8-12-10-13(12)9-11(3)7-5-2;1-3-2;2*1-2/h11-13H,4-10H2,1-3H3;3H2,1-2H3;2*1-2H3
InChIKeyWYACBEZKJKASAA-UHFFFAOYSA-N
MW286.59 g/mol
LogP8.11
Rot. Bonds7

About 1-butyl-2-(2-methylpentyl)cyclopropane;ethane;propane

1-butyl-2-(2-methylpentyl)cyclopropane;ethane;propane (PubChem CID 142190190) has the molecular formula C20H46 and a molecular weight of 286.59 g/mol. Its IUPAC name is 1-butyl-2-(2-methylpentyl)cyclopropane;ethane;propane.

Molecular Properties

Compound Name1-butyl-2-(2-methylpentyl)cyclopropane;ethane;propane
PubChem CID142190190
Molecular FormulaC20H46
Molecular Weight286.59 g/mol
Exact Mass286.36
IUPAC Name1-butyl-2-(2-methylpentyl)cyclopropane;ethane;propane
SMILESCC.CC.CCC.CCCCC1CC1CC(C)CCC
InChIInChI=1S/C13H26.C3H8.2C2H6/c1-4-6-8-12-10-13(12)9-11(3)7-5-2;1-3-2;2*1-2/h11-13H,4-10H2,1-3H3;3H2,1-2H3;2*1-2H3
InChIKeyWYACBEZKJKASAA-UHFFFAOYSA-N
XLogP8.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.59
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-butyl-2-(2-methylpentyl)cyclopropane;ethane;propane 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-butyl-2-(6-ethyl-2-methyloctyl)cyclopropane
CID 123426508
1-butyl-2-(9-methyldodecyl)cyclopropane
CID 123448389
1-butyl-2-ethylcyclopropane;2-methylbutane;propane
CID 143683372
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
1-(2-methylbutyl)-2-propylcyclopropane
CID 90912055
N-methyl-2-(2-methylpentyl)cyclopropan-1-amine
CID 163758904
1-butyl-2-pentan-2-ylcyclopropane
CID 90836008
cis-(1R,2S)-1-butyl-2-ethylcyclopropane
CID 6427612
1-ethyl-2-[2-(2-methylpentyl)cyclopropyl]cyclopropane
CID 123748919
1-butyl-2-[5-(2-butylcyclopropyl)-3-methoxypentyl]cyclopropane
CID 170756743
1,3-bis(2-methylpentyl)cyclobutane
CID 143683640

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(2-methylpentyl)cyclopropane;ethane;propane?
The IUPAC name of 1-butyl-2-(2-methylpentyl)cyclopropane;ethane;propane (CID 142190190) is 1-butyl-2-(2-methylpentyl)cyclopropane;ethane;propane.
What is the SMILES notation for 1-butyl-2-(2-methylpentyl)cyclopropane;ethane;propane?
The canonical SMILES for 1-butyl-2-(2-methylpentyl)cyclopropane;ethane;propane is CC.CC.CCC.CCCCC1CC1CC(C)CCC.
What is the InChIKey of 1-butyl-2-(2-methylpentyl)cyclopropane;ethane;propane?
The InChIKey is WYACBEZKJKASAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26.C3H8.2C2H6/c1-4-6-8-12-10-13(12)9-11(3)7-5-2;1-3-2;2*1-2/h11-13H,4-10H2,1-3H3;3H2,1-2H3;2*1-2H3.
What are the key properties of 1-butyl-2-(2-methylpentyl)cyclopropane;ethane;propane?
1-butyl-2-(2-methylpentyl)cyclopropane;ethane;propane has a molecular weight of 286.59 g/mol, XLogP of 8.11, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(2-methylpentyl)cyclopropane;ethane;propane is sourced from PubChem (CID 142190190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).