1-pentyl-3-prop-1-en-2-ylcyclobutane

C12H22 — CID 134953496

IUPAC1-pentyl-3-prop-1-en-2-ylcyclobutane
SMILESC=C(C)C1CC(CCCCC)C1
InChIInChI=1S/C12H22/c1-4-5-6-7-11-8-12(9-11)10(2)3/h11-12H,2,4-9H2,1,3H3
InChIKeyQJEHRNSXMARMFU-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.17
Rot. Bonds5

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

1-pentyl-3-prop-1-en-2-ylcyclobutane (PubChem CID 134953496) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-pentyl-3-prop-1-en-2-ylcyclobutane.

Molecular Properties

Compound Name1-pentyl-3-prop-1-en-2-ylcyclobutane
PubChem CID134953496
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-pentyl-3-prop-1-en-2-ylcyclobutane
SMILESC=C(C)C1CC(CCCCC)C1
InChIInChI=1S/C12H22/c1-4-5-6-7-11-8-12(9-11)10(2)3/h11-12H,2,4-9H2,1,3H3
InChIKeyQJEHRNSXMARMFU-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.17
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'}

Analyze 1-pentyl-3-prop-1-en-2-ylcyclobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-3-prop-1-en-2-ylcyclobutane?
The IUPAC name of 1-pentyl-3-prop-1-en-2-ylcyclobutane (CID 134953496) is 1-pentyl-3-prop-1-en-2-ylcyclobutane.
What is the SMILES notation for 1-pentyl-3-prop-1-en-2-ylcyclobutane?
The canonical SMILES for 1-pentyl-3-prop-1-en-2-ylcyclobutane is C=C(C)C1CC(CCCCC)C1.
What is the InChIKey of 1-pentyl-3-prop-1-en-2-ylcyclobutane?
The InChIKey is QJEHRNSXMARMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-5-6-7-11-8-12(9-11)10(2)3/h11-12H,2,4-9H2,1,3H3.
What are the key properties of 1-pentyl-3-prop-1-en-2-ylcyclobutane?
1-pentyl-3-prop-1-en-2-ylcyclobutane has a molecular weight of 166.31 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-3-prop-1-en-2-ylcyclobutane is sourced from PubChem (CID 134953496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).