1-butyl-3-prop-1-en-2-ylcyclobutane

C11H20 — CID 162409061

IUPAC1-butyl-3-prop-1-en-2-ylcyclobutane
SMILESC=C(C)C1CC(CCCC)C1
InChIInChI=1S/C11H20/c1-4-5-6-10-7-11(8-10)9(2)3/h10-11H,2,4-8H2,1,3H3
InChIKeyXIXYDODDQHZZHD-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.78
Rot. Bonds4

About 1-butyl-3-prop-1-en-2-ylcyclobutane

1-butyl-3-prop-1-en-2-ylcyclobutane (PubChem CID 162409061) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-butyl-3-prop-1-en-2-ylcyclobutane.

Molecular Properties

Compound Name1-butyl-3-prop-1-en-2-ylcyclobutane
PubChem CID162409061
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-butyl-3-prop-1-en-2-ylcyclobutane
SMILESC=C(C)C1CC(CCCC)C1
InChIInChI=1S/C11H20/c1-4-5-6-10-7-11(8-10)9(2)3/h10-11H,2,4-8H2,1,3H3
InChIKeyXIXYDODDQHZZHD-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-prop-1-en-2-ylcyclobutane?
The IUPAC name of 1-butyl-3-prop-1-en-2-ylcyclobutane (CID 162409061) is 1-butyl-3-prop-1-en-2-ylcyclobutane.
What is the SMILES notation for 1-butyl-3-prop-1-en-2-ylcyclobutane?
The canonical SMILES for 1-butyl-3-prop-1-en-2-ylcyclobutane is C=C(C)C1CC(CCCC)C1.
What is the InChIKey of 1-butyl-3-prop-1-en-2-ylcyclobutane?
The InChIKey is XIXYDODDQHZZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-4-5-6-10-7-11(8-10)9(2)3/h10-11H,2,4-8H2,1,3H3.
What are the key properties of 1-butyl-3-prop-1-en-2-ylcyclobutane?
1-butyl-3-prop-1-en-2-ylcyclobutane has a molecular weight of 152.28 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-prop-1-en-2-ylcyclobutane is sourced from PubChem (CID 162409061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).