(4Z)-4-ethenylhepta-4,6-dienoyl chloride

C9H11ClO — CID 143083142

IUPAC(4Z)-4-ethenylhepta-4,6-dienoyl chloride
SMILESC=C/C=C(\C=C)CCC(=O)Cl
InChIInChI=1S/C9H11ClO/c1-3-5-8(4-2)6-7-9(10)11/h3-5H,1-2,6-7H2/b8-5+
InChIKeyXQFLWDYEPDGXRP-VMPITWQZSA-N
MW170.64 g/mol
LogP2.83
Rot. Bonds5

About (4Z)-4-ethenylhepta-4,6-dienoyl chloride

(4Z)-4-ethenylhepta-4,6-dienoyl chloride (PubChem CID 143083142) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is (4Z)-4-ethenylhepta-4,6-dienoyl chloride.

Molecular Properties

Compound Name(4Z)-4-ethenylhepta-4,6-dienoyl chloride
PubChem CID143083142
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name(4Z)-4-ethenylhepta-4,6-dienoyl chloride
SMILESC=C/C=C(\C=C)CCC(=O)Cl
InChIInChI=1S/C9H11ClO/c1-3-5-8(4-2)6-7-9(10)11/h3-5H,1-2,6-7H2/b8-5+
InChIKeyXQFLWDYEPDGXRP-VMPITWQZSA-N
XLogP2.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-4-ethenyl-7-fluorohepta-1,3-diene
CID 143712076
aminomethanone;(4Z)-4-ethenylhepta-4,6-dienoic acid;fermium
CID 165115773
(6Z)-6-ethenylnona-6,8-dienoic acid;formic acid
CID 176918699
[(3Z)-3-ethenylhexa-3,5-dienyl]carbamic acid;yttrium
CID 154661209
N-[(3Z)-3-ethenylhexa-3,5-dienyl]formamide
CID 156731692
methyl N-[(3Z)-3-ethenylhexa-3,5-dienyl]carbamate
CID 154661224
(3Z,7E)-4-ethenylnona-1,3,7-triene
CID 144915072
(3Z)-3-ethenyl-N-oxohexa-3,5-dienamide
CID 89001510
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
(3E)-3-(iodomethyl)hexa-1,3,5-triene
CID 142115416
3-(2-ethenylpenta-2,4-dienylsulfanyl)propanoic acid
CID 123311297
(3Z)-4-ethenyl-7-iodoocta-1,3-diene
CID 142018025

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethenylhepta-4,6-dienoyl chloride?
The IUPAC name of (4Z)-4-ethenylhepta-4,6-dienoyl chloride (CID 143083142) is (4Z)-4-ethenylhepta-4,6-dienoyl chloride.
What is the SMILES notation for (4Z)-4-ethenylhepta-4,6-dienoyl chloride?
The canonical SMILES for (4Z)-4-ethenylhepta-4,6-dienoyl chloride is C=C/C=C(\C=C)CCC(=O)Cl.
What is the InChIKey of (4Z)-4-ethenylhepta-4,6-dienoyl chloride?
The InChIKey is XQFLWDYEPDGXRP-VMPITWQZSA-N. The full InChI is InChI=1S/C9H11ClO/c1-3-5-8(4-2)6-7-9(10)11/h3-5H,1-2,6-7H2/b8-5+.
What are the key properties of (4Z)-4-ethenylhepta-4,6-dienoyl chloride?
(4Z)-4-ethenylhepta-4,6-dienoyl chloride has a molecular weight of 170.64 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethenylhepta-4,6-dienoyl chloride is sourced from PubChem (CID 143083142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).