2-ethyl-1,1-dimethyl-3-(2-methylprop-1-enyl)cyclopropane;1-ethyl-4-methylcyclohexane

C20H38 — CID 91351798

IUPAC2-ethyl-1,1-dimethyl-3-(2-methylprop-1-enyl)cyclopropane;1-ethyl-4-methylcyclohexane
SMILESCCC1C(C=C(C)C)C1(C)C.CCC1CCC(C)CC1
InChIInChI=1S/C11H20.C9H18/c1-6-9-10(7-8(2)3)11(9,4)5;1-3-9-6-4-8(2)5-7-9/h7,9-10H,6H2,1-5H3;8-9H,3-7H2,1-2H3
InChIKeyHCGICBGYMDLGRA-UHFFFAOYSA-N
MW278.52 g/mol
LogP6.86
Rot. Bonds3

About 2-ethyl-1,1-dimethyl-3-(2-methylprop-1-enyl)cyclopropane;1-ethyl-4-methylcyclohexane

2-ethyl-1,1-dimethyl-3-(2-methylprop-1-enyl)cyclopropane;1-ethyl-4-methylcyclohexane (PubChem CID 91351798) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 2-ethyl-1,1-dimethyl-3-(2-methylprop-1-enyl)cyclopropane;1-ethyl-4-methylcyclohexane.

Molecular Properties

Compound Name2-ethyl-1,1-dimethyl-3-(2-methylprop-1-enyl)cyclopropane;1-ethyl-4-methylcyclohexane
PubChem CID91351798
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name2-ethyl-1,1-dimethyl-3-(2-methylprop-1-enyl)cyclopropane;1-ethyl-4-methylcyclohexane
SMILESCCC1C(C=C(C)C)C1(C)C.CCC1CCC(C)CC1
InChIInChI=1S/C11H20.C9H18/c1-6-9-10(7-8(2)3)11(9,4)5;1-3-9-6-4-8(2)5-7-9/h7,9-10H,6H2,1-5H3;8-9H,3-7H2,1-2H3
InChIKeyHCGICBGYMDLGRA-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,1-dimethyl-3-(2-methylprop-1-enyl)cyclopropane;1-ethyl-4-methylcyclohexane?
The IUPAC name of 2-ethyl-1,1-dimethyl-3-(2-methylprop-1-enyl)cyclopropane;1-ethyl-4-methylcyclohexane (CID 91351798) is 2-ethyl-1,1-dimethyl-3-(2-methylprop-1-enyl)cyclopropane;1-ethyl-4-methylcyclohexane.
What is the SMILES notation for 2-ethyl-1,1-dimethyl-3-(2-methylprop-1-enyl)cyclopropane;1-ethyl-4-methylcyclohexane?
The canonical SMILES for 2-ethyl-1,1-dimethyl-3-(2-methylprop-1-enyl)cyclopropane;1-ethyl-4-methylcyclohexane is CCC1C(C=C(C)C)C1(C)C.CCC1CCC(C)CC1.
What is the InChIKey of 2-ethyl-1,1-dimethyl-3-(2-methylprop-1-enyl)cyclopropane;1-ethyl-4-methylcyclohexane?
The InChIKey is HCGICBGYMDLGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.C9H18/c1-6-9-10(7-8(2)3)11(9,4)5;1-3-9-6-4-8(2)5-7-9/h7,9-10H,6H2,1-5H3;8-9H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-1,1-dimethyl-3-(2-methylprop-1-enyl)cyclopropane;1-ethyl-4-methylcyclohexane?
2-ethyl-1,1-dimethyl-3-(2-methylprop-1-enyl)cyclopropane;1-ethyl-4-methylcyclohexane has a molecular weight of 278.52 g/mol, XLogP of 6.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,1-dimethyl-3-(2-methylprop-1-enyl)cyclopropane;1-ethyl-4-methylcyclohexane is sourced from PubChem (CID 91351798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).