3-[(1Z)-buta-1,3-dienyl]-1-ethyl-1-[(Z)-prop-1-enyl]cyclopentane

C14H22 — CID 163539203

IUPAC3-[(1Z)-buta-1,3-dienyl]-1-ethyl-1-[(Z)-prop-1-enyl]cyclopentane
SMILESC=C/C=C\C1CCC(/C=C\C)(CC)C1
InChIInChI=1S/C14H22/c1-4-7-8-13-9-11-14(6-3,12-13)10-5-2/h4-5,7-8,10,13H,1,6,9,11-12H2,2-3H3/b8-7-,10-5-
InChIKeyDZPIMHKPVXTDLH-JCPYGFQFSA-N
MW190.33 g/mol
LogP4.50
Rot. Bonds4

About 3-[(1Z)-buta-1,3-dienyl]-1-ethyl-1-[(Z)-prop-1-enyl]cyclopentane

3-[(1Z)-buta-1,3-dienyl]-1-ethyl-1-[(Z)-prop-1-enyl]cyclopentane (PubChem CID 163539203) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 3-[(1Z)-buta-1,3-dienyl]-1-ethyl-1-[(Z)-prop-1-enyl]cyclopentane.

Molecular Properties

Compound Name3-[(1Z)-buta-1,3-dienyl]-1-ethyl-1-[(Z)-prop-1-enyl]cyclopentane
PubChem CID163539203
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name3-[(1Z)-buta-1,3-dienyl]-1-ethyl-1-[(Z)-prop-1-enyl]cyclopentane
SMILESC=C/C=C\C1CCC(/C=C\C)(CC)C1
InChIInChI=1S/C14H22/c1-4-7-8-13-9-11-14(6-3,12-13)10-5-2/h4-5,7-8,10,13H,1,6,9,11-12H2,2-3H3/b8-7-,10-5-
InChIKeyDZPIMHKPVXTDLH-JCPYGFQFSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 3-[(1Z)-buta-1,3-dienyl]-1-ethyl-1-[(Z)-prop-1-enyl]cyclopentane 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 3-[(1Z)-buta-1,3-dienyl]-1-ethyl-1-[(Z)-prop-1-enyl]cyclopentane?
The IUPAC name of 3-[(1Z)-buta-1,3-dienyl]-1-ethyl-1-[(Z)-prop-1-enyl]cyclopentane (CID 163539203) is 3-[(1Z)-buta-1,3-dienyl]-1-ethyl-1-[(Z)-prop-1-enyl]cyclopentane.
What is the SMILES notation for 3-[(1Z)-buta-1,3-dienyl]-1-ethyl-1-[(Z)-prop-1-enyl]cyclopentane?
The canonical SMILES for 3-[(1Z)-buta-1,3-dienyl]-1-ethyl-1-[(Z)-prop-1-enyl]cyclopentane is C=C/C=C\C1CCC(/C=C\C)(CC)C1.
What is the InChIKey of 3-[(1Z)-buta-1,3-dienyl]-1-ethyl-1-[(Z)-prop-1-enyl]cyclopentane?
The InChIKey is DZPIMHKPVXTDLH-JCPYGFQFSA-N. The full InChI is InChI=1S/C14H22/c1-4-7-8-13-9-11-14(6-3,12-13)10-5-2/h4-5,7-8,10,13H,1,6,9,11-12H2,2-3H3/b8-7-,10-5-.
What are the key properties of 3-[(1Z)-buta-1,3-dienyl]-1-ethyl-1-[(Z)-prop-1-enyl]cyclopentane?
3-[(1Z)-buta-1,3-dienyl]-1-ethyl-1-[(Z)-prop-1-enyl]cyclopentane has a molecular weight of 190.33 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1Z)-buta-1,3-dienyl]-1-ethyl-1-[(Z)-prop-1-enyl]cyclopentane is sourced from PubChem (CID 163539203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).