(E)-1-chloro-2-ethoxyhex-2-ene

C8H15ClO — CID 172858600

IUPAC(E)-1-chloro-2-ethoxyhex-2-ene
SMILESCCC/C=C(\CCl)OCC
InChIInChI=1S/C8H15ClO/c1-3-5-6-8(7-9)10-4-2/h6H,3-5,7H2,1-2H3/b8-6+
InChIKeyZAXJAHCILUSQNH-SOFGYWHQSA-N
MW162.66 g/mol
LogP2.95
Rot. Bonds5

About (E)-1-chloro-2-ethoxyhex-2-ene

(E)-1-chloro-2-ethoxyhex-2-ene (PubChem CID 172858600) has the molecular formula C8H15ClO and a molecular weight of 162.66 g/mol. Its IUPAC name is (E)-1-chloro-2-ethoxyhex-2-ene.

Molecular Properties

Compound Name(E)-1-chloro-2-ethoxyhex-2-ene
PubChem CID172858600
Molecular FormulaC8H15ClO
Molecular Weight162.66 g/mol
Exact Mass162.08
IUPAC Name(E)-1-chloro-2-ethoxyhex-2-ene
SMILESCCC/C=C(\CCl)OCC
InChIInChI=1S/C8H15ClO/c1-3-5-6-8(7-9)10-4-2/h6H,3-5,7H2,1-2H3/b8-6+
InChIKeyZAXJAHCILUSQNH-SOFGYWHQSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-chloro-2-ethoxyhex-2-ene?
The IUPAC name of (E)-1-chloro-2-ethoxyhex-2-ene (CID 172858600) is (E)-1-chloro-2-ethoxyhex-2-ene.
What is the SMILES notation for (E)-1-chloro-2-ethoxyhex-2-ene?
The canonical SMILES for (E)-1-chloro-2-ethoxyhex-2-ene is CCC/C=C(\CCl)OCC.
What is the InChIKey of (E)-1-chloro-2-ethoxyhex-2-ene?
The InChIKey is ZAXJAHCILUSQNH-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H15ClO/c1-3-5-6-8(7-9)10-4-2/h6H,3-5,7H2,1-2H3/b8-6+.
What are the key properties of (E)-1-chloro-2-ethoxyhex-2-ene?
(E)-1-chloro-2-ethoxyhex-2-ene has a molecular weight of 162.66 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-chloro-2-ethoxyhex-2-ene is sourced from PubChem (CID 172858600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).