(E)-1,1-diethoxynon-2-ene

C13H26O2 — CID 6441622

IUPAC(E)-1,1-diethoxynon-2-ene
SMILESCCCCCC/C=C/C(OCC)OCC
InChIInChI=1S/C13H26O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h11-13H,4-10H2,1-3H3/b12-11+
InChIKeyMUWPHRMERVXBEL-VAWYXSNFSA-N
MW214.35 g/mol
LogP3.91
Rot. Bonds10

About (E)-1,1-diethoxynon-2-ene

(E)-1,1-diethoxynon-2-ene (PubChem CID 6441622) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is (E)-1,1-diethoxynon-2-ene.

Molecular Properties

Compound Name(E)-1,1-diethoxynon-2-ene
PubChem CID6441622
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name(E)-1,1-diethoxynon-2-ene
SMILESCCCCCC/C=C/C(OCC)OCC
InChIInChI=1S/C13H26O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h11-13H,4-10H2,1-3H3/b12-11+
InChIKeyMUWPHRMERVXBEL-VAWYXSNFSA-N
XLogP3.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1,1-diethoxynon-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1,1-diethoxynon-2-ene?
The IUPAC name of (E)-1,1-diethoxynon-2-ene (CID 6441622) is (E)-1,1-diethoxynon-2-ene.
What is the SMILES notation for (E)-1,1-diethoxynon-2-ene?
The canonical SMILES for (E)-1,1-diethoxynon-2-ene is CCCCCC/C=C/C(OCC)OCC.
What is the InChIKey of (E)-1,1-diethoxynon-2-ene?
The InChIKey is MUWPHRMERVXBEL-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H26O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h11-13H,4-10H2,1-3H3/b12-11+.
What are the key properties of (E)-1,1-diethoxynon-2-ene?
(E)-1,1-diethoxynon-2-ene has a molecular weight of 214.35 g/mol, XLogP of 3.91, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1-diethoxynon-2-ene is sourced from PubChem (CID 6441622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).