2,3-diethoxyhept-2-ene

C11H22O2 — CID 141393119

IUPAC2,3-diethoxyhept-2-ene
SMILESCCCCC(OCC)=C(C)OCC
InChIInChI=1S/C11H22O2/c1-5-8-9-11(13-7-3)10(4)12-6-2/h5-9H2,1-4H3
InChIKeyHAFRTNOUGVPHSD-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.48
Rot. Bonds7

About 2,3-diethoxyhept-2-ene

2,3-diethoxyhept-2-ene (PubChem CID 141393119) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2,3-diethoxyhept-2-ene.

Molecular Properties

Compound Name2,3-diethoxyhept-2-ene
PubChem CID141393119
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2,3-diethoxyhept-2-ene
SMILESCCCCC(OCC)=C(C)OCC
InChIInChI=1S/C11H22O2/c1-5-8-9-11(13-7-3)10(4)12-6-2/h5-9H2,1-4H3
InChIKeyHAFRTNOUGVPHSD-UHFFFAOYSA-N
XLogP3.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethoxyhept-2-ene?
The IUPAC name of 2,3-diethoxyhept-2-ene (CID 141393119) is 2,3-diethoxyhept-2-ene.
What is the SMILES notation for 2,3-diethoxyhept-2-ene?
The canonical SMILES for 2,3-diethoxyhept-2-ene is CCCCC(OCC)=C(C)OCC.
What is the InChIKey of 2,3-diethoxyhept-2-ene?
The InChIKey is HAFRTNOUGVPHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-8-9-11(13-7-3)10(4)12-6-2/h5-9H2,1-4H3.
What are the key properties of 2,3-diethoxyhept-2-ene?
2,3-diethoxyhept-2-ene has a molecular weight of 186.29 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethoxyhept-2-ene is sourced from PubChem (CID 141393119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).