1-cyclobutyl-5-ethyl-4-methylcycloheptene

C14H24 — CID 123242728

IUPAC1-cyclobutyl-5-ethyl-4-methylcycloheptene
SMILESCCC1CCC(C2CCC2)=CCC1C
InChIInChI=1S/C14H24/c1-3-12-9-10-14(8-7-11(12)2)13-5-4-6-13/h8,11-13H,3-7,9-10H2,1-2H3
InChIKeyLRWQFWLTGGRPKW-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.56
Rot. Bonds2

About 1-cyclobutyl-5-ethyl-4-methylcycloheptene

1-cyclobutyl-5-ethyl-4-methylcycloheptene (PubChem CID 123242728) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 1-cyclobutyl-5-ethyl-4-methylcycloheptene.

Molecular Properties

Compound Name1-cyclobutyl-5-ethyl-4-methylcycloheptene
PubChem CID123242728
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name1-cyclobutyl-5-ethyl-4-methylcycloheptene
SMILESCCC1CCC(C2CCC2)=CCC1C
InChIInChI=1S/C14H24/c1-3-12-9-10-14(8-7-11(12)2)13-5-4-6-13/h8,11-13H,3-7,9-10H2,1-2H3
InChIKeyLRWQFWLTGGRPKW-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.56
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-cyclobutyl-5-ethyl-4-methylcycloheptene?
The IUPAC name of 1-cyclobutyl-5-ethyl-4-methylcycloheptene (CID 123242728) is 1-cyclobutyl-5-ethyl-4-methylcycloheptene.
What is the SMILES notation for 1-cyclobutyl-5-ethyl-4-methylcycloheptene?
The canonical SMILES for 1-cyclobutyl-5-ethyl-4-methylcycloheptene is CCC1CCC(C2CCC2)=CCC1C.
What is the InChIKey of 1-cyclobutyl-5-ethyl-4-methylcycloheptene?
The InChIKey is LRWQFWLTGGRPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-3-12-9-10-14(8-7-11(12)2)13-5-4-6-13/h8,11-13H,3-7,9-10H2,1-2H3.
What are the key properties of 1-cyclobutyl-5-ethyl-4-methylcycloheptene?
1-cyclobutyl-5-ethyl-4-methylcycloheptene has a molecular weight of 192.35 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-5-ethyl-4-methylcycloheptene is sourced from PubChem (CID 123242728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).