1-[(1Z,3Z)-penta-1,3-dienyl]-2-[(E)-prop-1-enyl]cyclohexene

C14H20 — CID 142902876

IUPAC1-[(1Z,3Z)-penta-1,3-dienyl]-2-[(E)-prop-1-enyl]cyclohexene
SMILESC/C=C\C=C/C1=C(/C=C/C)CCCC1
InChIInChI=1S/C14H20/c1-3-5-6-10-14-12-8-7-11-13(14)9-4-2/h3-6,9-10H,7-8,11-12H2,1-2H3/b5-3-,9-4+,10-6-
InChIKeyVNAOEQNGLNMONQ-CJBUATDDSA-N
MW188.31 g/mol
LogP4.57
Rot. Bonds3

About 1-[(1Z,3Z)-penta-1,3-dienyl]-2-[(E)-prop-1-enyl]cyclohexene

1-[(1Z,3Z)-penta-1,3-dienyl]-2-[(E)-prop-1-enyl]cyclohexene (PubChem CID 142902876) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 1-[(1Z,3Z)-penta-1,3-dienyl]-2-[(E)-prop-1-enyl]cyclohexene.

Molecular Properties

Compound Name1-[(1Z,3Z)-penta-1,3-dienyl]-2-[(E)-prop-1-enyl]cyclohexene
PubChem CID142902876
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name1-[(1Z,3Z)-penta-1,3-dienyl]-2-[(E)-prop-1-enyl]cyclohexene
SMILESC/C=C\C=C/C1=C(/C=C/C)CCCC1
InChIInChI=1S/C14H20/c1-3-5-6-10-14-12-8-7-11-13(14)9-4-2/h3-6,9-10H,7-8,11-12H2,1-2H3/b5-3-,9-4+,10-6-
InChIKeyVNAOEQNGLNMONQ-CJBUATDDSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1Z,3Z)-penta-1,3-dienyl]-2-[(E)-prop-1-enyl]cyclohexene?
The IUPAC name of 1-[(1Z,3Z)-penta-1,3-dienyl]-2-[(E)-prop-1-enyl]cyclohexene (CID 142902876) is 1-[(1Z,3Z)-penta-1,3-dienyl]-2-[(E)-prop-1-enyl]cyclohexene.
What is the SMILES notation for 1-[(1Z,3Z)-penta-1,3-dienyl]-2-[(E)-prop-1-enyl]cyclohexene?
The canonical SMILES for 1-[(1Z,3Z)-penta-1,3-dienyl]-2-[(E)-prop-1-enyl]cyclohexene is C/C=C\C=C/C1=C(/C=C/C)CCCC1.
What is the InChIKey of 1-[(1Z,3Z)-penta-1,3-dienyl]-2-[(E)-prop-1-enyl]cyclohexene?
The InChIKey is VNAOEQNGLNMONQ-CJBUATDDSA-N. The full InChI is InChI=1S/C14H20/c1-3-5-6-10-14-12-8-7-11-13(14)9-4-2/h3-6,9-10H,7-8,11-12H2,1-2H3/b5-3-,9-4+,10-6-.
What are the key properties of 1-[(1Z,3Z)-penta-1,3-dienyl]-2-[(E)-prop-1-enyl]cyclohexene?
1-[(1Z,3Z)-penta-1,3-dienyl]-2-[(E)-prop-1-enyl]cyclohexene has a molecular weight of 188.31 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z,3Z)-penta-1,3-dienyl]-2-[(E)-prop-1-enyl]cyclohexene is sourced from PubChem (CID 142902876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).