10-O-(2-ethoxyethyl) 1-O-hexyl decanedioate

C20H38O5 — CID 91739044

IUPAC10-O-(2-ethoxyethyl) 1-O-hexyl decanedioate
SMILESCCCCCCOC(=O)CCCCCCCCC(=O)OCCOCC
InChIInChI=1S/C20H38O5/c1-3-5-6-13-16-24-19(21)14-11-9-7-8-10-12-15-20(22)25-18-17-23-4-2/h3-18H2,1-2H3
InChIKeyULVOGQFEZUIETN-UHFFFAOYSA-N
MW358.52 g/mol
LogP4.81
Rot. Bonds18

About 10-O-(2-ethoxyethyl) 1-O-hexyl decanedioate

10-O-(2-ethoxyethyl) 1-O-hexyl decanedioate (PubChem CID 91739044) has the molecular formula C20H38O5 and a molecular weight of 358.52 g/mol. Its IUPAC name is 10-O-(2-ethoxyethyl) 1-O-hexyl decanedioate.

Molecular Properties

Compound Name10-O-(2-ethoxyethyl) 1-O-hexyl decanedioate
PubChem CID91739044
Molecular FormulaC20H38O5
Molecular Weight358.52 g/mol
Exact Mass358.27
IUPAC Name10-O-(2-ethoxyethyl) 1-O-hexyl decanedioate
SMILESCCCCCCOC(=O)CCCCCCCCC(=O)OCCOCC
InChIInChI=1S/C20H38O5/c1-3-5-6-13-16-24-19(21)14-11-9-7-8-10-12-15-20(22)25-18-17-23-4-2/h3-18H2,1-2H3
InChIKeyULVOGQFEZUIETN-UHFFFAOYSA-N
XLogP4.81
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.52
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 10-O-(2-ethoxyethyl) 1-O-hexyl decanedioate with MolForge

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

Launch Full Analysis

Related Compounds

5-O-(2-ethoxyethyl) 1-O-heptyl pentanedioate
CID 91706629
2-[2-(2-ethoxyethoxy)ethoxy]ethyl hexadecanoate
CID 150033358
octyl 18-ethoxyoctadecanoate
CID 88843598
octyl 5-ethoxypentanoate
CID 134561600
4-O-(2-ethoxyethyl) 1-O-octyl butanedioate
CID 91701867
octyl 6-ethoxyhexanoate
CID 134561594
octyl 4-ethoxybutanoate
CID 134561601
6-O-(2-butoxyethyl) 1-O-hexyl hexanedioate
CID 91692824
pentyl 4-[2-(2-ethoxyethoxy)ethoxy]butanoate
CID 121470119
2-(2-hexoxyethoxy)ethyl decanoate
CID 139604752
2-(2-hexoxyethoxy)ethyl octadecanoate
CID 139604732
2-pentoxyethyl hexadecanoate
CID 139604749

Frequently Asked Questions

What is the IUPAC name of 10-O-(2-ethoxyethyl) 1-O-hexyl decanedioate?
The IUPAC name of 10-O-(2-ethoxyethyl) 1-O-hexyl decanedioate (CID 91739044) is 10-O-(2-ethoxyethyl) 1-O-hexyl decanedioate.
What is the SMILES notation for 10-O-(2-ethoxyethyl) 1-O-hexyl decanedioate?
The canonical SMILES for 10-O-(2-ethoxyethyl) 1-O-hexyl decanedioate is CCCCCCOC(=O)CCCCCCCCC(=O)OCCOCC.
What is the InChIKey of 10-O-(2-ethoxyethyl) 1-O-hexyl decanedioate?
The InChIKey is ULVOGQFEZUIETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O5/c1-3-5-6-13-16-24-19(21)14-11-9-7-8-10-12-15-20(22)25-18-17-23-4-2/h3-18H2,1-2H3.
What are the key properties of 10-O-(2-ethoxyethyl) 1-O-hexyl decanedioate?
10-O-(2-ethoxyethyl) 1-O-hexyl decanedioate has a molecular weight of 358.52 g/mol, XLogP of 4.81, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-O-(2-ethoxyethyl) 1-O-hexyl decanedioate is sourced from PubChem (CID 91739044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).