(E)-1,1-diethoxyhex-3-ene

C10H20O2 — CID 6506389

IUPAC(E)-1,1-diethoxyhex-3-ene
SMILESCC/C=C/CC(OCC)OCC
InChIInChI=1S/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h7-8,10H,4-6,9H2,1-3H3/b8-7+
InChIKeyIOBHVJHSBREPFR-BQYQJAHWSA-N
MW172.27 g/mol
LogP2.74
Rot. Bonds7

About (E)-1,1-diethoxyhex-3-ene

(E)-1,1-diethoxyhex-3-ene (PubChem CID 6506389) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (E)-1,1-diethoxyhex-3-ene.

Molecular Properties

Compound Name(E)-1,1-diethoxyhex-3-ene
PubChem CID6506389
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(E)-1,1-diethoxyhex-3-ene
SMILESCC/C=C/CC(OCC)OCC
InChIInChI=1S/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h7-8,10H,4-6,9H2,1-3H3/b8-7+
InChIKeyIOBHVJHSBREPFR-BQYQJAHWSA-N
XLogP2.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)-1,1-diethoxyhex-3-ene?
The IUPAC name of (E)-1,1-diethoxyhex-3-ene (CID 6506389) is (E)-1,1-diethoxyhex-3-ene.
What is the SMILES notation for (E)-1,1-diethoxyhex-3-ene?
The canonical SMILES for (E)-1,1-diethoxyhex-3-ene is CC/C=C/CC(OCC)OCC.
What is the InChIKey of (E)-1,1-diethoxyhex-3-ene?
The InChIKey is IOBHVJHSBREPFR-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h7-8,10H,4-6,9H2,1-3H3/b8-7+.
What are the key properties of (E)-1,1-diethoxyhex-3-ene?
(E)-1,1-diethoxyhex-3-ene has a molecular weight of 172.27 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1-diethoxyhex-3-ene is sourced from PubChem (CID 6506389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).