(E)-6-chloro-1,1-diethoxyhex-2-ene

C10H19ClO2 — CID 132577718

IUPAC(E)-6-chloro-1,1-diethoxyhex-2-ene
SMILESCCOC(/C=C/CCCCl)OCC
InChIInChI=1S/C10H19ClO2/c1-3-12-10(13-4-2)8-6-5-7-9-11/h6,8,10H,3-5,7,9H2,1-2H3/b8-6+
InChIKeyZMZZFSRDVGUCNG-SOFGYWHQSA-N
MW206.71 g/mol
LogP2.96
Rot. Bonds8

About (E)-6-chloro-1,1-diethoxyhex-2-ene

(E)-6-chloro-1,1-diethoxyhex-2-ene (PubChem CID 132577718) has the molecular formula C10H19ClO2 and a molecular weight of 206.71 g/mol. Its IUPAC name is (E)-6-chloro-1,1-diethoxyhex-2-ene.

Molecular Properties

Compound Name(E)-6-chloro-1,1-diethoxyhex-2-ene
PubChem CID132577718
Molecular FormulaC10H19ClO2
Molecular Weight206.71 g/mol
Exact Mass206.11
IUPAC Name(E)-6-chloro-1,1-diethoxyhex-2-ene
SMILESCCOC(/C=C/CCCCl)OCC
InChIInChI=1S/C10H19ClO2/c1-3-12-10(13-4-2)8-6-5-7-9-11/h6,8,10H,3-5,7,9H2,1-2H3/b8-6+
InChIKeyZMZZFSRDVGUCNG-SOFGYWHQSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.71
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-6-chloro-1,1-diethoxyhex-2-ene?
The IUPAC name of (E)-6-chloro-1,1-diethoxyhex-2-ene (CID 132577718) is (E)-6-chloro-1,1-diethoxyhex-2-ene.
What is the SMILES notation for (E)-6-chloro-1,1-diethoxyhex-2-ene?
The canonical SMILES for (E)-6-chloro-1,1-diethoxyhex-2-ene is CCOC(/C=C/CCCCl)OCC.
What is the InChIKey of (E)-6-chloro-1,1-diethoxyhex-2-ene?
The InChIKey is ZMZZFSRDVGUCNG-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H19ClO2/c1-3-12-10(13-4-2)8-6-5-7-9-11/h6,8,10H,3-5,7,9H2,1-2H3/b8-6+.
What are the key properties of (E)-6-chloro-1,1-diethoxyhex-2-ene?
(E)-6-chloro-1,1-diethoxyhex-2-ene has a molecular weight of 206.71 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-chloro-1,1-diethoxyhex-2-ene is sourced from PubChem (CID 132577718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).