(2E,4Z)-2-prop-2-enylhexa-2,4-dienoyl chloride

C9H11ClO — CID 89302839

IUPAC(2E,4Z)-2-prop-2-enylhexa-2,4-dienoyl chloride
SMILESC=CC/C(=C\C=C/C)C(=O)Cl
InChIInChI=1S/C9H11ClO/c1-3-5-7-8(6-4-2)9(10)11/h3-5,7H,2,6H2,1H3/b5-3-,8-7+
InChIKeyRDUNDFOSYOFTRU-ZIQCHISCSA-N
MW170.64 g/mol
LogP2.83
Rot. Bonds4

About (2E,4Z)-2-prop-2-enylhexa-2,4-dienoyl chloride

(2E,4Z)-2-prop-2-enylhexa-2,4-dienoyl chloride (PubChem CID 89302839) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is (2E,4Z)-2-prop-2-enylhexa-2,4-dienoyl chloride.

Molecular Properties

Compound Name(2E,4Z)-2-prop-2-enylhexa-2,4-dienoyl chloride
PubChem CID89302839
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name(2E,4Z)-2-prop-2-enylhexa-2,4-dienoyl chloride
SMILESC=CC/C(=C\C=C/C)C(=O)Cl
InChIInChI=1S/C9H11ClO/c1-3-5-7-8(6-4-2)9(10)11/h3-5,7H,2,6H2,1H3/b5-3-,8-7+
InChIKeyRDUNDFOSYOFTRU-ZIQCHISCSA-N
XLogP2.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.83
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;(4E,6Z)-4-methylocta-1,4,6-triene
CID 142893307
acetyl chloride;penta-1,3-diene
CID 175604931
(4Z,6Z)-4-ethylocta-1,4,6-triene;methanamine
CID 142945126
(2E)-2-[(E)-but-2-enylidene]butanedioic acid
CID 87666227
2-chlorohexa-2,4-dienoic acid
CID 54548904
(2Z,4E)-2-chlorohexa-2,4-dienoic acid
CID 14647350
methyl (2Z,4E)-2-(2-methylidenebut-3-enyl)hexa-2,4-dienoate
CID 14531355
carbonic acid;4,5-dichloroocta-1,4,7-triene
CID 173029728
2-(chloromethyl)but-2-enoyl chloride
CID 155659804
(213C)pent-4-en-2-one
CID 173180315
(2Z)-2-[(E)-but-2-enylidene]-1-pyrrolidin-1-yloctan-1-one
CID 132523022
(2E,4E,6Z)-2-cyano-4-ethenyl-3-[(3E)-penta-1,3-dien-3-yl]octa-2,4,6-trienoyl chloride
CID 176964129

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-prop-2-enylhexa-2,4-dienoyl chloride?
The IUPAC name of (2E,4Z)-2-prop-2-enylhexa-2,4-dienoyl chloride (CID 89302839) is (2E,4Z)-2-prop-2-enylhexa-2,4-dienoyl chloride.
What is the SMILES notation for (2E,4Z)-2-prop-2-enylhexa-2,4-dienoyl chloride?
The canonical SMILES for (2E,4Z)-2-prop-2-enylhexa-2,4-dienoyl chloride is C=CC/C(=C\C=C/C)C(=O)Cl.
What is the InChIKey of (2E,4Z)-2-prop-2-enylhexa-2,4-dienoyl chloride?
The InChIKey is RDUNDFOSYOFTRU-ZIQCHISCSA-N. The full InChI is InChI=1S/C9H11ClO/c1-3-5-7-8(6-4-2)9(10)11/h3-5,7H,2,6H2,1H3/b5-3-,8-7+.
What are the key properties of (2E,4Z)-2-prop-2-enylhexa-2,4-dienoyl chloride?
(2E,4Z)-2-prop-2-enylhexa-2,4-dienoyl chloride has a molecular weight of 170.64 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-prop-2-enylhexa-2,4-dienoyl chloride is sourced from PubChem (CID 89302839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).