1-penta-1,4-dien-2-ylcyclohexene

C11H16 — CID 10920669

IUPAC1-penta-1,4-dien-2-ylcyclohexene
SMILESC=CCC(=C)C1=CCCCC1
InChIInChI=1S/C11H16/c1-3-7-10(2)11-8-5-4-6-9-11/h3,8H,1-2,4-7,9H2
InChIKeyNIQPKXLTFVMITC-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.62
Rot. Bonds3

About 1-penta-1,4-dien-2-ylcyclohexene

1-penta-1,4-dien-2-ylcyclohexene (PubChem CID 10920669) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 1-penta-1,4-dien-2-ylcyclohexene.

Molecular Properties

Compound Name1-penta-1,4-dien-2-ylcyclohexene
PubChem CID10920669
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name1-penta-1,4-dien-2-ylcyclohexene
SMILESC=CCC(=C)C1=CCCCC1
InChIInChI=1S/C11H16/c1-3-7-10(2)11-8-5-4-6-9-11/h3,8H,1-2,4-7,9H2
InChIKeyNIQPKXLTFVMITC-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.62
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-penta-1,4-dien-2-ylcyclohexene?
The IUPAC name of 1-penta-1,4-dien-2-ylcyclohexene (CID 10920669) is 1-penta-1,4-dien-2-ylcyclohexene.
What is the SMILES notation for 1-penta-1,4-dien-2-ylcyclohexene?
The canonical SMILES for 1-penta-1,4-dien-2-ylcyclohexene is C=CCC(=C)C1=CCCCC1.
What is the InChIKey of 1-penta-1,4-dien-2-ylcyclohexene?
The InChIKey is NIQPKXLTFVMITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-3-7-10(2)11-8-5-4-6-9-11/h3,8H,1-2,4-7,9H2.
What are the key properties of 1-penta-1,4-dien-2-ylcyclohexene?
1-penta-1,4-dien-2-ylcyclohexene has a molecular weight of 148.25 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-penta-1,4-dien-2-ylcyclohexene is sourced from PubChem (CID 10920669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).