1-butyl-2-[3-(2-methylcyclopropyl)but-2-en-2-yl]cyclopropane

C15H26 — CID 123145759

IUPAC1-butyl-2-[3-(2-methylcyclopropyl)but-2-en-2-yl]cyclopropane
SMILESCCCCC1CC1C(C)=C(C)C1CC1C
InChIInChI=1S/C15H26/c1-5-6-7-13-9-15(13)12(4)11(3)14-8-10(14)2/h10,13-15H,5-9H2,1-4H3
InChIKeyHBXVQQRFVVADNH-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.81
Rot. Bonds5

About 1-butyl-2-[3-(2-methylcyclopropyl)but-2-en-2-yl]cyclopropane

1-butyl-2-[3-(2-methylcyclopropyl)but-2-en-2-yl]cyclopropane (PubChem CID 123145759) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1-butyl-2-[3-(2-methylcyclopropyl)but-2-en-2-yl]cyclopropane.

Molecular Properties

Compound Name1-butyl-2-[3-(2-methylcyclopropyl)but-2-en-2-yl]cyclopropane
PubChem CID123145759
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1-butyl-2-[3-(2-methylcyclopropyl)but-2-en-2-yl]cyclopropane
SMILESCCCCC1CC1C(C)=C(C)C1CC1C
InChIInChI=1S/C15H26/c1-5-6-7-13-9-15(13)12(4)11(3)14-8-10(14)2/h10,13-15H,5-9H2,1-4H3
InChIKeyHBXVQQRFVVADNH-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.81
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-butyl-2-[3-(2-methylcyclopropyl)but-2-en-2-yl]cyclopropane?
The IUPAC name of 1-butyl-2-[3-(2-methylcyclopropyl)but-2-en-2-yl]cyclopropane (CID 123145759) is 1-butyl-2-[3-(2-methylcyclopropyl)but-2-en-2-yl]cyclopropane.
What is the SMILES notation for 1-butyl-2-[3-(2-methylcyclopropyl)but-2-en-2-yl]cyclopropane?
The canonical SMILES for 1-butyl-2-[3-(2-methylcyclopropyl)but-2-en-2-yl]cyclopropane is CCCCC1CC1C(C)=C(C)C1CC1C.
What is the InChIKey of 1-butyl-2-[3-(2-methylcyclopropyl)but-2-en-2-yl]cyclopropane?
The InChIKey is HBXVQQRFVVADNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-5-6-7-13-9-15(13)12(4)11(3)14-8-10(14)2/h10,13-15H,5-9H2,1-4H3.
What are the key properties of 1-butyl-2-[3-(2-methylcyclopropyl)but-2-en-2-yl]cyclopropane?
1-butyl-2-[3-(2-methylcyclopropyl)but-2-en-2-yl]cyclopropane has a molecular weight of 206.37 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-[3-(2-methylcyclopropyl)but-2-en-2-yl]cyclopropane is sourced from PubChem (CID 123145759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).