(4Z)-3-(2-chloroethyl)hexa-1,4-diene

C8H13Cl — CID 170198922

IUPAC(4Z)-3-(2-chloroethyl)hexa-1,4-diene
SMILESC=CC(/C=C\C)CCCl
InChIInChI=1S/C8H13Cl/c1-3-5-8(4-2)6-7-9/h3-5,8H,2,6-7H2,1H3/b5-3-
InChIKeySECHWBRUKWCOQF-HYXAFXHYSA-N
MW144.64 g/mol
LogP2.99
Rot. Bonds4

About (4Z)-3-(2-chloroethyl)hexa-1,4-diene

(4Z)-3-(2-chloroethyl)hexa-1,4-diene (PubChem CID 170198922) has the molecular formula C8H13Cl and a molecular weight of 144.64 g/mol. Its IUPAC name is (4Z)-3-(2-chloroethyl)hexa-1,4-diene.

Molecular Properties

Compound Name(4Z)-3-(2-chloroethyl)hexa-1,4-diene
PubChem CID170198922
Molecular FormulaC8H13Cl
Molecular Weight144.64 g/mol
Exact Mass144.07
IUPAC Name(4Z)-3-(2-chloroethyl)hexa-1,4-diene
SMILESC=CC(/C=C\C)CCCl
InChIInChI=1S/C8H13Cl/c1-3-5-8(4-2)6-7-9/h3-5,8H,2,6-7H2,1H3/b5-3-
InChIKeySECHWBRUKWCOQF-HYXAFXHYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.64
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-3-(2-chloroethyl)hexa-1,4-diene?
The IUPAC name of (4Z)-3-(2-chloroethyl)hexa-1,4-diene (CID 170198922) is (4Z)-3-(2-chloroethyl)hexa-1,4-diene.
What is the SMILES notation for (4Z)-3-(2-chloroethyl)hexa-1,4-diene?
The canonical SMILES for (4Z)-3-(2-chloroethyl)hexa-1,4-diene is C=CC(/C=C\C)CCCl.
What is the InChIKey of (4Z)-3-(2-chloroethyl)hexa-1,4-diene?
The InChIKey is SECHWBRUKWCOQF-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H13Cl/c1-3-5-8(4-2)6-7-9/h3-5,8H,2,6-7H2,1H3/b5-3-.
What are the key properties of (4Z)-3-(2-chloroethyl)hexa-1,4-diene?
(4Z)-3-(2-chloroethyl)hexa-1,4-diene has a molecular weight of 144.64 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-(2-chloroethyl)hexa-1,4-diene is sourced from PubChem (CID 170198922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).