1-ethenyl-3-heptan-4-ylcyclobutane

C13H24 — CID 123184472

IUPAC1-ethenyl-3-heptan-4-ylcyclobutane
SMILESC=CC1CC(C(CCC)CCC)C1
InChIInChI=1S/C13H24/c1-4-7-12(8-5-2)13-9-11(6-3)10-13/h6,11-13H,3-5,7-10H2,1-2H3
InChIKeyUFNCZGNOOPJUAL-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.41
Rot. Bonds6

About 1-ethenyl-3-heptan-4-ylcyclobutane

1-ethenyl-3-heptan-4-ylcyclobutane (PubChem CID 123184472) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1-ethenyl-3-heptan-4-ylcyclobutane.

Molecular Properties

Compound Name1-ethenyl-3-heptan-4-ylcyclobutane
PubChem CID123184472
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1-ethenyl-3-heptan-4-ylcyclobutane
SMILESC=CC1CC(C(CCC)CCC)C1
InChIInChI=1S/C13H24/c1-4-7-12(8-5-2)13-9-11(6-3)10-13/h6,11-13H,3-5,7-10H2,1-2H3
InChIKeyUFNCZGNOOPJUAL-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.41
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-ethenyl-3-heptan-4-ylcyclobutane?
The IUPAC name of 1-ethenyl-3-heptan-4-ylcyclobutane (CID 123184472) is 1-ethenyl-3-heptan-4-ylcyclobutane.
What is the SMILES notation for 1-ethenyl-3-heptan-4-ylcyclobutane?
The canonical SMILES for 1-ethenyl-3-heptan-4-ylcyclobutane is C=CC1CC(C(CCC)CCC)C1.
What is the InChIKey of 1-ethenyl-3-heptan-4-ylcyclobutane?
The InChIKey is UFNCZGNOOPJUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-4-7-12(8-5-2)13-9-11(6-3)10-13/h6,11-13H,3-5,7-10H2,1-2H3.
What are the key properties of 1-ethenyl-3-heptan-4-ylcyclobutane?
1-ethenyl-3-heptan-4-ylcyclobutane has a molecular weight of 180.33 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-heptan-4-ylcyclobutane is sourced from PubChem (CID 123184472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).