1-butyl-1-hex-1-en-2-ylcyclopropane

C13H24 — CID 15833605

IUPAC1-butyl-1-hex-1-en-2-ylcyclopropane
SMILESC=C(CCCC)C1(CCCC)CC1
InChIInChI=1S/C13H24/c1-4-6-8-12(3)13(10-11-13)9-7-5-2/h3-11H2,1-2H3
InChIKeyUKDVBXCMRXVKJR-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.70
Rot. Bonds7

About 1-butyl-1-hex-1-en-2-ylcyclopropane

1-butyl-1-hex-1-en-2-ylcyclopropane (PubChem CID 15833605) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1-butyl-1-hex-1-en-2-ylcyclopropane.

Molecular Properties

Compound Name1-butyl-1-hex-1-en-2-ylcyclopropane
PubChem CID15833605
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1-butyl-1-hex-1-en-2-ylcyclopropane
SMILESC=C(CCCC)C1(CCCC)CC1
InChIInChI=1S/C13H24/c1-4-6-8-12(3)13(10-11-13)9-7-5-2/h3-11H2,1-2H3
InChIKeyUKDVBXCMRXVKJR-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.70
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-1-hex-1-en-2-ylcyclopropane?
The IUPAC name of 1-butyl-1-hex-1-en-2-ylcyclopropane (CID 15833605) is 1-butyl-1-hex-1-en-2-ylcyclopropane.
What is the SMILES notation for 1-butyl-1-hex-1-en-2-ylcyclopropane?
The canonical SMILES for 1-butyl-1-hex-1-en-2-ylcyclopropane is C=C(CCCC)C1(CCCC)CC1.
What is the InChIKey of 1-butyl-1-hex-1-en-2-ylcyclopropane?
The InChIKey is UKDVBXCMRXVKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-4-6-8-12(3)13(10-11-13)9-7-5-2/h3-11H2,1-2H3.
What are the key properties of 1-butyl-1-hex-1-en-2-ylcyclopropane?
1-butyl-1-hex-1-en-2-ylcyclopropane has a molecular weight of 180.33 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-hex-1-en-2-ylcyclopropane is sourced from PubChem (CID 15833605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).