2-[[2-[1-(2-ethyl-3-methylcyclopropyl)propan-2-yl]-3-methylcyclopropyl]methyl]-3,5-dimethylbicyclo[2.1.0]pentane

C21H36 — CID 123575155

IUPAC2-[[2-[1-(2-ethyl-3-methylcyclopropyl)propan-2-yl]-3-methylcyclopropyl]methyl]-3,5-dimethylbicyclo[2.1.0]pentane
SMILESCCC1C(C)C1CC(C)C1C(C)C1CC1C(C)C2C(C)C12
InChIInChI=1S/C21H36/c1-7-15-11(3)16(15)8-10(2)19-12(4)17(19)9-18-13(5)20-14(6)21(18)20/h10-21H,7-9H2,1-6H3
InChIKeyORVVEXXBRIAUHB-UHFFFAOYSA-N
MW288.52 g/mol
LogP5.72
Rot. Bonds6

About 2-[[2-[1-(2-ethyl-3-methylcyclopropyl)propan-2-yl]-3-methylcyclopropyl]methyl]-3,5-dimethylbicyclo[2.1.0]pentane

2-[[2-[1-(2-ethyl-3-methylcyclopropyl)propan-2-yl]-3-methylcyclopropyl]methyl]-3,5-dimethylbicyclo[2.1.0]pentane (PubChem CID 123575155) has the molecular formula C21H36 and a molecular weight of 288.52 g/mol. Its IUPAC name is 2-[[2-[1-(2-ethyl-3-methylcyclopropyl)propan-2-yl]-3-methylcyclopropyl]methyl]-3,5-dimethylbicyclo[2.1.0]pentane.

Molecular Properties

Compound Name2-[[2-[1-(2-ethyl-3-methylcyclopropyl)propan-2-yl]-3-methylcyclopropyl]methyl]-3,5-dimethylbicyclo[2.1.0]pentane
PubChem CID123575155
Molecular FormulaC21H36
Molecular Weight288.52 g/mol
Exact Mass288.28
IUPAC Name2-[[2-[1-(2-ethyl-3-methylcyclopropyl)propan-2-yl]-3-methylcyclopropyl]methyl]-3,5-dimethylbicyclo[2.1.0]pentane
SMILESCCC1C(C)C1CC(C)C1C(C)C1CC1C(C)C2C(C)C12
InChIInChI=1S/C21H36/c1-7-15-11(3)16(15)8-10(2)19-12(4)17(19)9-18-13(5)20-14(6)21(18)20/h10-21H,7-9H2,1-6H3
InChIKeyORVVEXXBRIAUHB-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[[2-[1-(2-ethyl-3-methylcyclopropyl)propan-2-yl]-3-methylcyclopropyl]methyl]-3,5-dimethylbicyclo[2.1.0]pentane with MolForge

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Related Compounds

1,2,4-triethyl-3-methyl-5-propan-2-ylcyclopentane
CID 123693329
1-(2-ethyl-3-methylcyclopropyl)-3-methylbutan-2-amine
CID 155273756
1,2-diethyl-3,4-dimethylcyclobutane
CID 91590074
1-butan-2-yl-2-ethyl-4-(2-ethylbutyl)-3-methylcyclobutane
CID 123211802
1-ethyl-2-[2-(2-ethyl-3-methylcyclopropyl)ethyl]-3-methylcyclopropane
CID 90777753
4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane
CID 123596860
3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane
CID 123396298
1-(3,4-dimethylpentan-2-yl)-2-ethyl-3-methylcyclopropane
CID 91327441
cis-(2R,3S)-1-ethyl-2,3-dimethylcyclopropane
CID 59954456
1-ethyl-2-methyl-3-(2,2,3-trimethylpent-4-enyl)cyclopropane
CID 123752649
4,9-diethyl-8-hexan-3-yl-2,5,7,11-tetramethyl-3-propylbicyclo[8.1.0]undecane
CID 123911551
1-methyl-2-pentan-2-yl-3-pentylcyclopropane
CID 91342380

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(2-ethyl-3-methylcyclopropyl)propan-2-yl]-3-methylcyclopropyl]methyl]-3,5-dimethylbicyclo[2.1.0]pentane?
The IUPAC name of 2-[[2-[1-(2-ethyl-3-methylcyclopropyl)propan-2-yl]-3-methylcyclopropyl]methyl]-3,5-dimethylbicyclo[2.1.0]pentane (CID 123575155) is 2-[[2-[1-(2-ethyl-3-methylcyclopropyl)propan-2-yl]-3-methylcyclopropyl]methyl]-3,5-dimethylbicyclo[2.1.0]pentane.
What is the SMILES notation for 2-[[2-[1-(2-ethyl-3-methylcyclopropyl)propan-2-yl]-3-methylcyclopropyl]methyl]-3,5-dimethylbicyclo[2.1.0]pentane?
The canonical SMILES for 2-[[2-[1-(2-ethyl-3-methylcyclopropyl)propan-2-yl]-3-methylcyclopropyl]methyl]-3,5-dimethylbicyclo[2.1.0]pentane is CCC1C(C)C1CC(C)C1C(C)C1CC1C(C)C2C(C)C12.
What is the InChIKey of 2-[[2-[1-(2-ethyl-3-methylcyclopropyl)propan-2-yl]-3-methylcyclopropyl]methyl]-3,5-dimethylbicyclo[2.1.0]pentane?
The InChIKey is ORVVEXXBRIAUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36/c1-7-15-11(3)16(15)8-10(2)19-12(4)17(19)9-18-13(5)20-14(6)21(18)20/h10-21H,7-9H2,1-6H3.
What are the key properties of 2-[[2-[1-(2-ethyl-3-methylcyclopropyl)propan-2-yl]-3-methylcyclopropyl]methyl]-3,5-dimethylbicyclo[2.1.0]pentane?
2-[[2-[1-(2-ethyl-3-methylcyclopropyl)propan-2-yl]-3-methylcyclopropyl]methyl]-3,5-dimethylbicyclo[2.1.0]pentane has a molecular weight of 288.52 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(2-ethyl-3-methylcyclopropyl)propan-2-yl]-3-methylcyclopropyl]methyl]-3,5-dimethylbicyclo[2.1.0]pentane is sourced from PubChem (CID 123575155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).