3,4-diethoxy-3-ethyldodecane

C18H38O2 — CID 150175682

IUPAC3,4-diethoxy-3-ethyldodecane
SMILESCCCCCCCCC(OCC)C(CC)(CC)OCC
InChIInChI=1S/C18H38O2/c1-6-11-12-13-14-15-16-17(19-9-4)18(7-2,8-3)20-10-5/h17H,6-16H2,1-5H3
InChIKeyFKJFGIVYQSKAMZ-UHFFFAOYSA-N
MW286.50 g/mol
LogP5.74
Rot. Bonds14

About 3,4-diethoxy-3-ethyldodecane

3,4-diethoxy-3-ethyldodecane (PubChem CID 150175682) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 3,4-diethoxy-3-ethyldodecane.

Molecular Properties

Compound Name3,4-diethoxy-3-ethyldodecane
PubChem CID150175682
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name3,4-diethoxy-3-ethyldodecane
SMILESCCCCCCCCC(OCC)C(CC)(CC)OCC
InChIInChI=1S/C18H38O2/c1-6-11-12-13-14-15-16-17(19-9-4)18(7-2,8-3)20-10-5/h17H,6-16H2,1-5H3
InChIKeyFKJFGIVYQSKAMZ-UHFFFAOYSA-N
XLogP5.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,4-diethoxy-3-ethyldodecane 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 3,4-diethoxy-3-ethyldodecane?
The IUPAC name of 3,4-diethoxy-3-ethyldodecane (CID 150175682) is 3,4-diethoxy-3-ethyldodecane.
What is the SMILES notation for 3,4-diethoxy-3-ethyldodecane?
The canonical SMILES for 3,4-diethoxy-3-ethyldodecane is CCCCCCCCC(OCC)C(CC)(CC)OCC.
What is the InChIKey of 3,4-diethoxy-3-ethyldodecane?
The InChIKey is FKJFGIVYQSKAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-6-11-12-13-14-15-16-17(19-9-4)18(7-2,8-3)20-10-5/h17H,6-16H2,1-5H3.
What are the key properties of 3,4-diethoxy-3-ethyldodecane?
3,4-diethoxy-3-ethyldodecane has a molecular weight of 286.50 g/mol, XLogP of 5.74, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-3-ethyldodecane is sourced from PubChem (CID 150175682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).