(Z)-2-(3-chloropropyl)-2-[(E)-prop-1-enyl]pent-3-enoyl chloride

C11H16Cl2O — CID 56848166

IUPAC(Z)-2-(3-chloropropyl)-2-[(E)-prop-1-enyl]pent-3-enoyl chloride
SMILESC/C=C\C(/C=C/C)(CCCCl)C(=O)Cl
InChIInChI=1S/C11H16Cl2O/c1-3-6-11(7-4-2,10(13)14)8-5-9-12/h3-4,6-7H,5,8-9H2,1-2H3/b6-3-,7-4+
InChIKeyRCMMJJMVRFGHOO-UCZKPGLMSA-N
MW235.15 g/mol
LogP3.91
Rot. Bonds6

About (Z)-2-(3-chloropropyl)-2-[(E)-prop-1-enyl]pent-3-enoyl chloride

(Z)-2-(3-chloropropyl)-2-[(E)-prop-1-enyl]pent-3-enoyl chloride (PubChem CID 56848166) has the molecular formula C11H16Cl2O and a molecular weight of 235.15 g/mol. Its IUPAC name is (Z)-2-(3-chloropropyl)-2-[(E)-prop-1-enyl]pent-3-enoyl chloride.

Molecular Properties

Compound Name(Z)-2-(3-chloropropyl)-2-[(E)-prop-1-enyl]pent-3-enoyl chloride
PubChem CID56848166
Molecular FormulaC11H16Cl2O
Molecular Weight235.15 g/mol
Exact Mass234.06
IUPAC Name(Z)-2-(3-chloropropyl)-2-[(E)-prop-1-enyl]pent-3-enoyl chloride
SMILESC/C=C\C(/C=C/C)(CCCCl)C(=O)Cl
InChIInChI=1S/C11H16Cl2O/c1-3-6-11(7-4-2,10(13)14)8-5-9-12/h3-4,6-7H,5,8-9H2,1-2H3/b6-3-,7-4+
InChIKeyRCMMJJMVRFGHOO-UCZKPGLMSA-N
XLogP3.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.15
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloropropyl)-2-methylpropanedioyl dichloride
CID 131888524
(E)-2-ethyl-N-methyl-2-[(E)-prop-1-enyl]pent-3-enamide
CID 145178749
1-chloro-4,4-dimethylpentane
CID 524245
2-(chloromethyl)but-2-enoyl chloride
CID 155659804
(2E,5E)-3-chlorohepta-2,5-dien-4-one
CID 131345605
2,2-difluorobutanoyl chloride
CID 105428401
2-(5-chloro-2,2-dimethylpentanoyl)oxyethyl 5-chloro-2,2-dimethylpentanoate
CID 19745520
(2E,4Z)-2-prop-2-enylhexa-2,4-dienoyl chloride
CID 89302839
2-acetyl-5-chloro-2-methylpentanenitrile
CID 83262143
N-(3-chloropropyl)-N-[(2E)-penta-2,4-dien-2-yl]acetamide;ethane
CID 145480758
acetyl chloride;1,2-dichloroethane
CID 159411616
acetyl chloride;penta-1,3-diene
CID 175604931

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3-chloropropyl)-2-[(E)-prop-1-enyl]pent-3-enoyl chloride?
The IUPAC name of (Z)-2-(3-chloropropyl)-2-[(E)-prop-1-enyl]pent-3-enoyl chloride (CID 56848166) is (Z)-2-(3-chloropropyl)-2-[(E)-prop-1-enyl]pent-3-enoyl chloride.
What is the SMILES notation for (Z)-2-(3-chloropropyl)-2-[(E)-prop-1-enyl]pent-3-enoyl chloride?
The canonical SMILES for (Z)-2-(3-chloropropyl)-2-[(E)-prop-1-enyl]pent-3-enoyl chloride is C/C=C\C(/C=C/C)(CCCCl)C(=O)Cl.
What is the InChIKey of (Z)-2-(3-chloropropyl)-2-[(E)-prop-1-enyl]pent-3-enoyl chloride?
The InChIKey is RCMMJJMVRFGHOO-UCZKPGLMSA-N. The full InChI is InChI=1S/C11H16Cl2O/c1-3-6-11(7-4-2,10(13)14)8-5-9-12/h3-4,6-7H,5,8-9H2,1-2H3/b6-3-,7-4+.
What are the key properties of (Z)-2-(3-chloropropyl)-2-[(E)-prop-1-enyl]pent-3-enoyl chloride?
(Z)-2-(3-chloropropyl)-2-[(E)-prop-1-enyl]pent-3-enoyl chloride has a molecular weight of 235.15 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3-chloropropyl)-2-[(E)-prop-1-enyl]pent-3-enoyl chloride is sourced from PubChem (CID 56848166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).