2-prop-2-enylpent-4-enoyl chloride

C8H11ClO — CID 13369417

IUPAC2-prop-2-enylpent-4-enoyl chloride
SMILESC=CCC(CC=C)C(=O)Cl
InChIInChI=1S/C8H11ClO/c1-3-5-7(6-4-2)8(9)10/h3-4,7H,1-2,5-6H2
InChIKeyLQUSJBSTUUAKLN-UHFFFAOYSA-N
MW158.63 g/mol
LogP2.52
Rot. Bonds5

About 2-prop-2-enylpent-4-enoyl chloride

2-prop-2-enylpent-4-enoyl chloride (PubChem CID 13369417) has the molecular formula C8H11ClO and a molecular weight of 158.63 g/mol. Its IUPAC name is 2-prop-2-enylpent-4-enoyl chloride.

Molecular Properties

Compound Name2-prop-2-enylpent-4-enoyl chloride
PubChem CID13369417
Molecular FormulaC8H11ClO
Molecular Weight158.63 g/mol
Exact Mass158.05
IUPAC Name2-prop-2-enylpent-4-enoyl chloride
SMILESC=CCC(CC=C)C(=O)Cl
InChIInChI=1S/C8H11ClO/c1-3-5-7(6-4-2)8(9)10/h3-4,7H,1-2,5-6H2
InChIKeyLQUSJBSTUUAKLN-UHFFFAOYSA-N
XLogP2.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylpent-4-enoyl chloride?
The IUPAC name of 2-prop-2-enylpent-4-enoyl chloride (CID 13369417) is 2-prop-2-enylpent-4-enoyl chloride.
What is the SMILES notation for 2-prop-2-enylpent-4-enoyl chloride?
The canonical SMILES for 2-prop-2-enylpent-4-enoyl chloride is C=CCC(CC=C)C(=O)Cl.
What is the InChIKey of 2-prop-2-enylpent-4-enoyl chloride?
The InChIKey is LQUSJBSTUUAKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClO/c1-3-5-7(6-4-2)8(9)10/h3-4,7H,1-2,5-6H2.
What are the key properties of 2-prop-2-enylpent-4-enoyl chloride?
2-prop-2-enylpent-4-enoyl chloride has a molecular weight of 158.63 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylpent-4-enoyl chloride is sourced from PubChem (CID 13369417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).