1-(2,3-dimethylcyclopropyl)-1-[[2-(2-ethenylhexyl)-4-ethylcyclobutyl]methyl]-2-(2-pentylcyclopropyl)cyclobutane

C32H56 — CID 123528460

IUPAC1-(2,3-dimethylcyclopropyl)-1-[[2-(2-ethenylhexyl)-4-ethylcyclobutyl]methyl]-2-(2-pentylcyclopropyl)cyclobutane
SMILESC=CC(CCCC)CC1CC(CC)C1CC1(C2C(C)C2C)CCC1C1CC1CCCCC
InChIInChI=1S/C32H56/c1-7-11-13-15-26-20-28(26)30-16-17-32(30,31-22(5)23(31)6)21-29-25(10-4)19-27(29)18-24(9-3)14-12-8-2/h9,22-31H,3,7-8,10-21H2,1-2,4-6H3
InChIKeyMOISASIUFCVWHF-UHFFFAOYSA-N
MW440.80 g/mol
LogP9.94
Rot. Bonds15

About 1-(2,3-dimethylcyclopropyl)-1-[[2-(2-ethenylhexyl)-4-ethylcyclobutyl]methyl]-2-(2-pentylcyclopropyl)cyclobutane

1-(2,3-dimethylcyclopropyl)-1-[[2-(2-ethenylhexyl)-4-ethylcyclobutyl]methyl]-2-(2-pentylcyclopropyl)cyclobutane (PubChem CID 123528460) has the molecular formula C32H56 and a molecular weight of 440.80 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclopropyl)-1-[[2-(2-ethenylhexyl)-4-ethylcyclobutyl]methyl]-2-(2-pentylcyclopropyl)cyclobutane.

Molecular Properties

Compound Name1-(2,3-dimethylcyclopropyl)-1-[[2-(2-ethenylhexyl)-4-ethylcyclobutyl]methyl]-2-(2-pentylcyclopropyl)cyclobutane
PubChem CID123528460
Molecular FormulaC32H56
Molecular Weight440.80 g/mol
Exact Mass440.44
IUPAC Name1-(2,3-dimethylcyclopropyl)-1-[[2-(2-ethenylhexyl)-4-ethylcyclobutyl]methyl]-2-(2-pentylcyclopropyl)cyclobutane
SMILESC=CC(CCCC)CC1CC(CC)C1CC1(C2C(C)C2C)CCC1C1CC1CCCCC
InChIInChI=1S/C32H56/c1-7-11-13-15-26-20-28(26)30-16-17-32(30,31-22(5)23(31)6)21-29-25(10-4)19-27(29)18-24(9-3)14-12-8-2/h9,22-31H,3,7-8,10-21H2,1-2,4-6H3
InChIKeyMOISASIUFCVWHF-UHFFFAOYSA-N
XLogP9.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.80
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2,3-dimethylcyclopropyl)-1-[[2-(2-ethenylhexyl)-4-ethylcyclobutyl]methyl]-2-(2-pentylcyclopropyl)cyclobutane 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

4-[3,4-Dimethyl-3-(1-methylcyclopropyl)pentyl]-8-[[2-ethyl-1-(6-methyloct-7-en-2-yl)cyclobutyl]methyl]-1,3,9-trimethyltricyclo[7.1.0.02,4]decane
CID 90758965
1-But-3-enyl-3-butyl-1-(8-butyl-6-ethyl-13,14-dimethyl-7-propylpentadecyl)cyclobutane
CID 90786500
1-Ethyl-4-(3-ethyl-3-methylpent-4-en-2-yl)-2,3-dimethyl-2-propan-2-ylbicyclo[1.1.0]butane
CID 90871748
1-[[2-[[2-(2,3-Dimethylbutyl)cyclopropyl]methyl]-2-methylcyclopropyl]methyl]-2-(2-methylpent-3-enyl)cyclobutane
CID 90929042
1,2-Dimethyl-2-propan-2-yl-4-prop-2-enylbicyclo[1.1.0]butane
CID 91019597
8-[6-Ethyl-11-methyl-7-(2-methylpentan-3-yl)tetradecyl]-13-[[2-(2-ethyl-3-methylpent-4-enyl)-1-methylcyclopropyl]methyl]-5,17-dimethyl-14-[2-(2,3,4,5,5-pentamethylheptan-2-yl)cyclobutyl]-14,19-dipropyltricyclo[16.1.1.07,9]icosane
CID 91075581
2,2-Dimethyl-1-(2-methylpropyl)-4-oct-1-en-2-ylbicyclo[1.1.0]butane
CID 91125535
5-(2-Ethylpent-4-enyl)-5-(2-propylcyclobutyl)bicyclo[2.1.0]pentane
CID 91174864
1'-(13-Butyl-12-propylnonadecan-2-yl)-4-methylspiro[bicyclo[1.1.0]butane-2,3'-cyclopropene]
CID 91216386
1,5-Dimethyl-6-(2-methylprop-2-enyl)-2-[1-[2-[3-(2-pentan-2-ylcyclopropyl)butan-2-yl]cyclopropyl]ethyl]spiro[2.3]hexane
CID 91246238
2-(4,4-Dimethylpent-1-en-2-yl)-4-(3-methyl-2-propylpentyl)bicyclo[1.1.0]butane
CID 91369955
1,2-Dimethyl-1-[2-(2-prop-2-enyl-2-propylcyclopropyl)ethyl]cyclopropane
CID 91377563

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclopropyl)-1-[[2-(2-ethenylhexyl)-4-ethylcyclobutyl]methyl]-2-(2-pentylcyclopropyl)cyclobutane?
The IUPAC name of 1-(2,3-dimethylcyclopropyl)-1-[[2-(2-ethenylhexyl)-4-ethylcyclobutyl]methyl]-2-(2-pentylcyclopropyl)cyclobutane (CID 123528460) is 1-(2,3-dimethylcyclopropyl)-1-[[2-(2-ethenylhexyl)-4-ethylcyclobutyl]methyl]-2-(2-pentylcyclopropyl)cyclobutane.
What is the SMILES notation for 1-(2,3-dimethylcyclopropyl)-1-[[2-(2-ethenylhexyl)-4-ethylcyclobutyl]methyl]-2-(2-pentylcyclopropyl)cyclobutane?
The canonical SMILES for 1-(2,3-dimethylcyclopropyl)-1-[[2-(2-ethenylhexyl)-4-ethylcyclobutyl]methyl]-2-(2-pentylcyclopropyl)cyclobutane is C=CC(CCCC)CC1CC(CC)C1CC1(C2C(C)C2C)CCC1C1CC1CCCCC.
What is the InChIKey of 1-(2,3-dimethylcyclopropyl)-1-[[2-(2-ethenylhexyl)-4-ethylcyclobutyl]methyl]-2-(2-pentylcyclopropyl)cyclobutane?
The InChIKey is MOISASIUFCVWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56/c1-7-11-13-15-26-20-28(26)30-16-17-32(30,31-22(5)23(31)6)21-29-25(10-4)19-27(29)18-24(9-3)14-12-8-2/h9,22-31H,3,7-8,10-21H2,1-2,4-6H3.
What are the key properties of 1-(2,3-dimethylcyclopropyl)-1-[[2-(2-ethenylhexyl)-4-ethylcyclobutyl]methyl]-2-(2-pentylcyclopropyl)cyclobutane?
1-(2,3-dimethylcyclopropyl)-1-[[2-(2-ethenylhexyl)-4-ethylcyclobutyl]methyl]-2-(2-pentylcyclopropyl)cyclobutane has a molecular weight of 440.80 g/mol, XLogP of 9.94, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclopropyl)-1-[[2-(2-ethenylhexyl)-4-ethylcyclobutyl]methyl]-2-(2-pentylcyclopropyl)cyclobutane is sourced from PubChem (CID 123528460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).