1,1,3-triethoxydodecane

C18H38O3 — CID 165359316

IUPAC1,1,3-triethoxydodecane
SMILESCCCCCCCCCC(CC(OCC)OCC)OCC
InChIInChI=1S/C18H38O3/c1-5-9-10-11-12-13-14-15-17(19-6-2)16-18(20-7-3)21-8-4/h17-18H,5-16H2,1-4H3
InChIKeyAYRUCMLFPNCLDV-UHFFFAOYSA-N
MW302.50 g/mol
LogP5.32
Rot. Bonds16

About 1,1,3-triethoxydodecane

1,1,3-triethoxydodecane (PubChem CID 165359316) has the molecular formula C18H38O3 and a molecular weight of 302.50 g/mol. Its IUPAC name is 1,1,3-triethoxydodecane.

Molecular Properties

Compound Name1,1,3-triethoxydodecane
PubChem CID165359316
Molecular FormulaC18H38O3
Molecular Weight302.50 g/mol
Exact Mass302.28
IUPAC Name1,1,3-triethoxydodecane
SMILESCCCCCCCCCC(CC(OCC)OCC)OCC
InChIInChI=1S/C18H38O3/c1-5-9-10-11-12-13-14-15-17(19-6-2)16-18(20-7-3)21-8-4/h17-18H,5-16H2,1-4H3
InChIKeyAYRUCMLFPNCLDV-UHFFFAOYSA-N
XLogP5.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.50
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 1,1,3-triethoxydodecane?
The IUPAC name of 1,1,3-triethoxydodecane (CID 165359316) is 1,1,3-triethoxydodecane.
What is the SMILES notation for 1,1,3-triethoxydodecane?
The canonical SMILES for 1,1,3-triethoxydodecane is CCCCCCCCCC(CC(OCC)OCC)OCC.
What is the InChIKey of 1,1,3-triethoxydodecane?
The InChIKey is AYRUCMLFPNCLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O3/c1-5-9-10-11-12-13-14-15-17(19-6-2)16-18(20-7-3)21-8-4/h17-18H,5-16H2,1-4H3.
What are the key properties of 1,1,3-triethoxydodecane?
1,1,3-triethoxydodecane has a molecular weight of 302.50 g/mol, XLogP of 5.32, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-triethoxydodecane is sourced from PubChem (CID 165359316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).