1-ethenyl-3-pentylcyclobutane

C11H20 — CID 11051862

IUPAC1-ethenyl-3-pentylcyclobutane
SMILESC=CC1CC(CCCCC)C1
InChIInChI=1S/C11H20/c1-3-5-6-7-11-8-10(4-2)9-11/h4,10-11H,2-3,5-9H2,1H3
InChIKeyKDSGIDGIFXKOKL-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.78
Rot. Bonds5

About 1-ethenyl-3-pentylcyclobutane

1-ethenyl-3-pentylcyclobutane (PubChem CID 11051862) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-ethenyl-3-pentylcyclobutane.

Molecular Properties

Compound Name1-ethenyl-3-pentylcyclobutane
PubChem CID11051862
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-ethenyl-3-pentylcyclobutane
SMILESC=CC1CC(CCCCC)C1
InChIInChI=1S/C11H20/c1-3-5-6-7-11-8-10(4-2)9-11/h4,10-11H,2-3,5-9H2,1H3
InChIKeyKDSGIDGIFXKOKL-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.78
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-3-pentylcyclobutane?
The IUPAC name of 1-ethenyl-3-pentylcyclobutane (CID 11051862) is 1-ethenyl-3-pentylcyclobutane.
What is the SMILES notation for 1-ethenyl-3-pentylcyclobutane?
The canonical SMILES for 1-ethenyl-3-pentylcyclobutane is C=CC1CC(CCCCC)C1.
What is the InChIKey of 1-ethenyl-3-pentylcyclobutane?
The InChIKey is KDSGIDGIFXKOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-3-5-6-7-11-8-10(4-2)9-11/h4,10-11H,2-3,5-9H2,1H3.
What are the key properties of 1-ethenyl-3-pentylcyclobutane?
1-ethenyl-3-pentylcyclobutane has a molecular weight of 152.28 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-pentylcyclobutane is sourced from PubChem (CID 11051862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).