2,2,3-triethoxydecanal

C16H32O4 — CID 173069697

IUPAC2,2,3-triethoxydecanal
SMILESCCCCCCCC(OCC)C(C=O)(OCC)OCC
InChIInChI=1S/C16H32O4/c1-5-9-10-11-12-13-15(18-6-2)16(14-17,19-7-3)20-8-4/h14-15H,5-13H2,1-4H3
InChIKeySNAYZMATUIPTFM-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.72
Rot. Bonds14

About 2,2,3-triethoxydecanal

2,2,3-triethoxydecanal (PubChem CID 173069697) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2,2,3-triethoxydecanal.

Molecular Properties

Compound Name2,2,3-triethoxydecanal
PubChem CID173069697
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Name2,2,3-triethoxydecanal
SMILESCCCCCCCC(OCC)C(C=O)(OCC)OCC
InChIInChI=1S/C16H32O4/c1-5-9-10-11-12-13-15(18-6-2)16(14-17,19-7-3)20-8-4/h14-15H,5-13H2,1-4H3
InChIKeySNAYZMATUIPTFM-UHFFFAOYSA-N
XLogP3.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-triethoxydecanal?
The IUPAC name of 2,2,3-triethoxydecanal (CID 173069697) is 2,2,3-triethoxydecanal.
What is the SMILES notation for 2,2,3-triethoxydecanal?
The canonical SMILES for 2,2,3-triethoxydecanal is CCCCCCCC(OCC)C(C=O)(OCC)OCC.
What is the InChIKey of 2,2,3-triethoxydecanal?
The InChIKey is SNAYZMATUIPTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4/c1-5-9-10-11-12-13-15(18-6-2)16(14-17,19-7-3)20-8-4/h14-15H,5-13H2,1-4H3.
What are the key properties of 2,2,3-triethoxydecanal?
2,2,3-triethoxydecanal has a molecular weight of 288.43 g/mol, XLogP of 3.72, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-triethoxydecanal is sourced from PubChem (CID 173069697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).