(2Z,4Z)-3-(2-chloroethyl)-1,6-dimethoxyhexa-2,4-diene

C10H17ClO2 — CID 88886083

IUPAC(2Z,4Z)-3-(2-chloroethyl)-1,6-dimethoxyhexa-2,4-diene
SMILESCOC/C=C\C(=C/COC)CCCl
InChIInChI=1S/C10H17ClO2/c1-12-8-3-4-10(5-7-11)6-9-13-2/h3-4,6H,5,7-9H2,1-2H3/b4-3-,10-6+
InChIKeyCRVXYPHREFRQKZ-GEEJUIKGSA-N
MW204.70 g/mol
LogP2.39
Rot. Bonds7

About (2Z,4Z)-3-(2-chloroethyl)-1,6-dimethoxyhexa-2,4-diene

(2Z,4Z)-3-(2-chloroethyl)-1,6-dimethoxyhexa-2,4-diene (PubChem CID 88886083) has the molecular formula C10H17ClO2 and a molecular weight of 204.70 g/mol. Its IUPAC name is (2Z,4Z)-3-(2-chloroethyl)-1,6-dimethoxyhexa-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-3-(2-chloroethyl)-1,6-dimethoxyhexa-2,4-diene
PubChem CID88886083
Molecular FormulaC10H17ClO2
Molecular Weight204.70 g/mol
Exact Mass204.09
IUPAC Name(2Z,4Z)-3-(2-chloroethyl)-1,6-dimethoxyhexa-2,4-diene
SMILESCOC/C=C\C(=C/COC)CCCl
InChIInChI=1S/C10H17ClO2/c1-12-8-3-4-10(5-7-11)6-9-13-2/h3-4,6H,5,7-9H2,1-2H3/b4-3-,10-6+
InChIKeyCRVXYPHREFRQKZ-GEEJUIKGSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3-(2-chloroethyl)-1,6-dimethoxyhexa-2,4-diene?
The IUPAC name of (2Z,4Z)-3-(2-chloroethyl)-1,6-dimethoxyhexa-2,4-diene (CID 88886083) is (2Z,4Z)-3-(2-chloroethyl)-1,6-dimethoxyhexa-2,4-diene.
What is the SMILES notation for (2Z,4Z)-3-(2-chloroethyl)-1,6-dimethoxyhexa-2,4-diene?
The canonical SMILES for (2Z,4Z)-3-(2-chloroethyl)-1,6-dimethoxyhexa-2,4-diene is COC/C=C\C(=C/COC)CCCl.
What is the InChIKey of (2Z,4Z)-3-(2-chloroethyl)-1,6-dimethoxyhexa-2,4-diene?
The InChIKey is CRVXYPHREFRQKZ-GEEJUIKGSA-N. The full InChI is InChI=1S/C10H17ClO2/c1-12-8-3-4-10(5-7-11)6-9-13-2/h3-4,6H,5,7-9H2,1-2H3/b4-3-,10-6+.
What are the key properties of (2Z,4Z)-3-(2-chloroethyl)-1,6-dimethoxyhexa-2,4-diene?
(2Z,4Z)-3-(2-chloroethyl)-1,6-dimethoxyhexa-2,4-diene has a molecular weight of 204.70 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-(2-chloroethyl)-1,6-dimethoxyhexa-2,4-diene is sourced from PubChem (CID 88886083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).