(2E,4E)-2-chloro-5-methoxyhexa-2,4-diene

C7H11ClO — CID 122521311

IUPAC(2E,4E)-2-chloro-5-methoxyhexa-2,4-diene
SMILESCO/C(C)=C/C=C(\C)Cl
InChIInChI=1S/C7H11ClO/c1-6(8)4-5-7(2)9-3/h4-5H,1-3H3/b6-4+,7-5+
InChIKeyPTVFZTZQQADUQW-YDFGWWAZSA-N
MW146.62 g/mol
LogP2.68
Rot. Bonds2

About (2E,4E)-2-chloro-5-methoxyhexa-2,4-diene

(2E,4E)-2-chloro-5-methoxyhexa-2,4-diene (PubChem CID 122521311) has the molecular formula C7H11ClO and a molecular weight of 146.62 g/mol. Its IUPAC name is (2E,4E)-2-chloro-5-methoxyhexa-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-2-chloro-5-methoxyhexa-2,4-diene
PubChem CID122521311
Molecular FormulaC7H11ClO
Molecular Weight146.62 g/mol
Exact Mass146.05
IUPAC Name(2E,4E)-2-chloro-5-methoxyhexa-2,4-diene
SMILESCO/C(C)=C/C=C(\C)Cl
InChIInChI=1S/C7H11ClO/c1-6(8)4-5-7(2)9-3/h4-5H,1-3H3/b6-4+,7-5+
InChIKeyPTVFZTZQQADUQW-YDFGWWAZSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-chloro-5-methoxyhexa-2,4-diene?
The IUPAC name of (2E,4E)-2-chloro-5-methoxyhexa-2,4-diene (CID 122521311) is (2E,4E)-2-chloro-5-methoxyhexa-2,4-diene.
What is the SMILES notation for (2E,4E)-2-chloro-5-methoxyhexa-2,4-diene?
The canonical SMILES for (2E,4E)-2-chloro-5-methoxyhexa-2,4-diene is CO/C(C)=C/C=C(\C)Cl.
What is the InChIKey of (2E,4E)-2-chloro-5-methoxyhexa-2,4-diene?
The InChIKey is PTVFZTZQQADUQW-YDFGWWAZSA-N. The full InChI is InChI=1S/C7H11ClO/c1-6(8)4-5-7(2)9-3/h4-5H,1-3H3/b6-4+,7-5+.
What are the key properties of (2E,4E)-2-chloro-5-methoxyhexa-2,4-diene?
(2E,4E)-2-chloro-5-methoxyhexa-2,4-diene has a molecular weight of 146.62 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-chloro-5-methoxyhexa-2,4-diene is sourced from PubChem (CID 122521311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).