(E)-7,7-diethoxyhept-3-ene

C11H22O2 — CID 5463725

IUPAC(E)-7,7-diethoxyhept-3-ene
SMILESCC/C=C/CCC(OCC)OCC
InChIInChI=1S/C11H22O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h7-8,11H,4-6,9-10H2,1-3H3/b8-7+
InChIKeyBOALWZNGHWYCRG-BQYQJAHWSA-N
MW186.29 g/mol
LogP3.13
Rot. Bonds8

About (E)-7,7-diethoxyhept-3-ene

(E)-7,7-diethoxyhept-3-ene (PubChem CID 5463725) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (E)-7,7-diethoxyhept-3-ene.

Molecular Properties

Compound Name(E)-7,7-diethoxyhept-3-ene
PubChem CID5463725
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(E)-7,7-diethoxyhept-3-ene
SMILESCC/C=C/CCC(OCC)OCC
InChIInChI=1S/C11H22O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h7-8,11H,4-6,9-10H2,1-3H3/b8-7+
InChIKeyBOALWZNGHWYCRG-BQYQJAHWSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.13
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)-7,7-diethoxyhept-3-ene?
The IUPAC name of (E)-7,7-diethoxyhept-3-ene (CID 5463725) is (E)-7,7-diethoxyhept-3-ene.
What is the SMILES notation for (E)-7,7-diethoxyhept-3-ene?
The canonical SMILES for (E)-7,7-diethoxyhept-3-ene is CC/C=C/CCC(OCC)OCC.
What is the InChIKey of (E)-7,7-diethoxyhept-3-ene?
The InChIKey is BOALWZNGHWYCRG-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-7-8-9-10-11(12-5-2)13-6-3/h7-8,11H,4-6,9-10H2,1-3H3/b8-7+.
What are the key properties of (E)-7,7-diethoxyhept-3-ene?
(E)-7,7-diethoxyhept-3-ene has a molecular weight of 186.29 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7,7-diethoxyhept-3-ene is sourced from PubChem (CID 5463725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).