1-[3-methyl-3-[2-(2-methylprop-2-enyl)cyclopropyl]butyl]-1-pentylcyclopropane

C20H36 — CID 91466618

IUPAC1-[3-methyl-3-[2-(2-methylprop-2-enyl)cyclopropyl]butyl]-1-pentylcyclopropane
SMILESC=C(C)CC1CC1C(C)(C)CCC1(CCCCC)CC1
InChIInChI=1S/C20H36/c1-6-7-8-9-20(12-13-20)11-10-19(4,5)18-15-17(18)14-16(2)3/h17-18H,2,6-15H2,1,3-5H3
InChIKeyNWVFOGWTPUBGLQ-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.76
Rot. Bonds10

About 1-[3-methyl-3-[2-(2-methylprop-2-enyl)cyclopropyl]butyl]-1-pentylcyclopropane

1-[3-methyl-3-[2-(2-methylprop-2-enyl)cyclopropyl]butyl]-1-pentylcyclopropane (PubChem CID 91466618) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 1-[3-methyl-3-[2-(2-methylprop-2-enyl)cyclopropyl]butyl]-1-pentylcyclopropane.

Molecular Properties

Compound Name1-[3-methyl-3-[2-(2-methylprop-2-enyl)cyclopropyl]butyl]-1-pentylcyclopropane
PubChem CID91466618
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name1-[3-methyl-3-[2-(2-methylprop-2-enyl)cyclopropyl]butyl]-1-pentylcyclopropane
SMILESC=C(C)CC1CC1C(C)(C)CCC1(CCCCC)CC1
InChIInChI=1S/C20H36/c1-6-7-8-9-20(12-13-20)11-10-19(4,5)18-15-17(18)14-16(2)3/h17-18H,2,6-15H2,1,3-5H3
InChIKeyNWVFOGWTPUBGLQ-UHFFFAOYSA-N
XLogP6.76
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 ≤ 56.76
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-3-[2-(2-methylprop-2-enyl)cyclopropyl]butyl]-1-pentylcyclopropane?
The IUPAC name of 1-[3-methyl-3-[2-(2-methylprop-2-enyl)cyclopropyl]butyl]-1-pentylcyclopropane (CID 91466618) is 1-[3-methyl-3-[2-(2-methylprop-2-enyl)cyclopropyl]butyl]-1-pentylcyclopropane.
What is the SMILES notation for 1-[3-methyl-3-[2-(2-methylprop-2-enyl)cyclopropyl]butyl]-1-pentylcyclopropane?
The canonical SMILES for 1-[3-methyl-3-[2-(2-methylprop-2-enyl)cyclopropyl]butyl]-1-pentylcyclopropane is C=C(C)CC1CC1C(C)(C)CCC1(CCCCC)CC1.
What is the InChIKey of 1-[3-methyl-3-[2-(2-methylprop-2-enyl)cyclopropyl]butyl]-1-pentylcyclopropane?
The InChIKey is NWVFOGWTPUBGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-6-7-8-9-20(12-13-20)11-10-19(4,5)18-15-17(18)14-16(2)3/h17-18H,2,6-15H2,1,3-5H3.
What are the key properties of 1-[3-methyl-3-[2-(2-methylprop-2-enyl)cyclopropyl]butyl]-1-pentylcyclopropane?
1-[3-methyl-3-[2-(2-methylprop-2-enyl)cyclopropyl]butyl]-1-pentylcyclopropane has a molecular weight of 276.51 g/mol, XLogP of 6.76, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-3-[2-(2-methylprop-2-enyl)cyclopropyl]butyl]-1-pentylcyclopropane is sourced from PubChem (CID 91466618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).