1-ethenyl-2-octylcyclobutane

C14H26 — CID 173458282

IUPAC1-ethenyl-2-octylcyclobutane
SMILESC=CC1CCC1CCCCCCCC
InChIInChI=1S/C14H26/c1-3-5-6-7-8-9-10-14-12-11-13(14)4-2/h4,13-14H,2-3,5-12H2,1H3
InChIKeyMIXKHPFYYNVCEY-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.95
Rot. Bonds8

About 1-ethenyl-2-octylcyclobutane

1-ethenyl-2-octylcyclobutane (PubChem CID 173458282) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-ethenyl-2-octylcyclobutane.

Molecular Properties

Compound Name1-ethenyl-2-octylcyclobutane
PubChem CID173458282
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1-ethenyl-2-octylcyclobutane
SMILESC=CC1CCC1CCCCCCCC
InChIInChI=1S/C14H26/c1-3-5-6-7-8-9-10-14-12-11-13(14)4-2/h4,13-14H,2-3,5-12H2,1H3
InChIKeyMIXKHPFYYNVCEY-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.95
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-ethenyl-2-octylcyclobutane?
The IUPAC name of 1-ethenyl-2-octylcyclobutane (CID 173458282) is 1-ethenyl-2-octylcyclobutane.
What is the SMILES notation for 1-ethenyl-2-octylcyclobutane?
The canonical SMILES for 1-ethenyl-2-octylcyclobutane is C=CC1CCC1CCCCCCCC.
What is the InChIKey of 1-ethenyl-2-octylcyclobutane?
The InChIKey is MIXKHPFYYNVCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-3-5-6-7-8-9-10-14-12-11-13(14)4-2/h4,13-14H,2-3,5-12H2,1H3.
What are the key properties of 1-ethenyl-2-octylcyclobutane?
1-ethenyl-2-octylcyclobutane has a molecular weight of 194.36 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-octylcyclobutane is sourced from PubChem (CID 173458282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).