1-(3-cycloprop-2-en-1-ylbutyl)-1-(3,4-dimethylhexyl)-2-ethylcyclopropane

C20H36 — CID 123138146

IUPAC1-(3-cycloprop-2-en-1-ylbutyl)-1-(3,4-dimethylhexyl)-2-ethylcyclopropane
SMILESCCC(C)C(C)CCC1(CCC(C)C2C=C2)CC1CC
InChIInChI=1S/C20H36/c1-6-15(3)16(4)10-12-20(14-19(20)7-2)13-11-17(5)18-8-9-18/h8-9,15-19H,6-7,10-14H2,1-5H3
InChIKeySFHYNEBAUIUFDD-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.47
Rot. Bonds10

About 1-(3-cycloprop-2-en-1-ylbutyl)-1-(3,4-dimethylhexyl)-2-ethylcyclopropane

1-(3-cycloprop-2-en-1-ylbutyl)-1-(3,4-dimethylhexyl)-2-ethylcyclopropane (PubChem CID 123138146) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 1-(3-cycloprop-2-en-1-ylbutyl)-1-(3,4-dimethylhexyl)-2-ethylcyclopropane.

Molecular Properties

Compound Name1-(3-cycloprop-2-en-1-ylbutyl)-1-(3,4-dimethylhexyl)-2-ethylcyclopropane
PubChem CID123138146
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name1-(3-cycloprop-2-en-1-ylbutyl)-1-(3,4-dimethylhexyl)-2-ethylcyclopropane
SMILESCCC(C)C(C)CCC1(CCC(C)C2C=C2)CC1CC
InChIInChI=1S/C20H36/c1-6-15(3)16(4)10-12-20(14-19(20)7-2)13-11-17(5)18-8-9-18/h8-9,15-19H,6-7,10-14H2,1-5H3
InChIKeySFHYNEBAUIUFDD-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.47
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 1-(3-cycloprop-2-en-1-ylbutyl)-1-(3,4-dimethylhexyl)-2-ethylcyclopropane?
The IUPAC name of 1-(3-cycloprop-2-en-1-ylbutyl)-1-(3,4-dimethylhexyl)-2-ethylcyclopropane (CID 123138146) is 1-(3-cycloprop-2-en-1-ylbutyl)-1-(3,4-dimethylhexyl)-2-ethylcyclopropane.
What is the SMILES notation for 1-(3-cycloprop-2-en-1-ylbutyl)-1-(3,4-dimethylhexyl)-2-ethylcyclopropane?
The canonical SMILES for 1-(3-cycloprop-2-en-1-ylbutyl)-1-(3,4-dimethylhexyl)-2-ethylcyclopropane is CCC(C)C(C)CCC1(CCC(C)C2C=C2)CC1CC.
What is the InChIKey of 1-(3-cycloprop-2-en-1-ylbutyl)-1-(3,4-dimethylhexyl)-2-ethylcyclopropane?
The InChIKey is SFHYNEBAUIUFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-6-15(3)16(4)10-12-20(14-19(20)7-2)13-11-17(5)18-8-9-18/h8-9,15-19H,6-7,10-14H2,1-5H3.
What are the key properties of 1-(3-cycloprop-2-en-1-ylbutyl)-1-(3,4-dimethylhexyl)-2-ethylcyclopropane?
1-(3-cycloprop-2-en-1-ylbutyl)-1-(3,4-dimethylhexyl)-2-ethylcyclopropane has a molecular weight of 276.51 g/mol, XLogP of 6.47, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cycloprop-2-en-1-ylbutyl)-1-(3,4-dimethylhexyl)-2-ethylcyclopropane is sourced from PubChem (CID 123138146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).