(3E)-1,1-diethoxynona-1,3-diene

C13H24O2 — CID 87320300

IUPAC(3E)-1,1-diethoxynona-1,3-diene
SMILESCCCCC/C=C/C=C(OCC)OCC
InChIInChI=1S/C13H24O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h10-12H,4-9H2,1-3H3/b11-10+
InChIKeyBNGLPNDGZTVHMM-ZHACJKMWSA-N
MW212.33 g/mol
LogP4.04
Rot. Bonds9

About (3E)-1,1-diethoxynona-1,3-diene

(3E)-1,1-diethoxynona-1,3-diene (PubChem CID 87320300) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (3E)-1,1-diethoxynona-1,3-diene.

Molecular Properties

Compound Name(3E)-1,1-diethoxynona-1,3-diene
PubChem CID87320300
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(3E)-1,1-diethoxynona-1,3-diene
SMILESCCCCC/C=C/C=C(OCC)OCC
InChIInChI=1S/C13H24O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h10-12H,4-9H2,1-3H3/b11-10+
InChIKeyBNGLPNDGZTVHMM-ZHACJKMWSA-N
XLogP4.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-1,1-diethoxynona-1,3-diene?
The IUPAC name of (3E)-1,1-diethoxynona-1,3-diene (CID 87320300) is (3E)-1,1-diethoxynona-1,3-diene.
What is the SMILES notation for (3E)-1,1-diethoxynona-1,3-diene?
The canonical SMILES for (3E)-1,1-diethoxynona-1,3-diene is CCCCC/C=C/C=C(OCC)OCC.
What is the InChIKey of (3E)-1,1-diethoxynona-1,3-diene?
The InChIKey is BNGLPNDGZTVHMM-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-7-8-9-10-11-12-13(14-5-2)15-6-3/h10-12H,4-9H2,1-3H3/b11-10+.
What are the key properties of (3E)-1,1-diethoxynona-1,3-diene?
(3E)-1,1-diethoxynona-1,3-diene has a molecular weight of 212.33 g/mol, XLogP of 4.04, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1,1-diethoxynona-1,3-diene is sourced from PubChem (CID 87320300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).