2-(2-hydroxyethoxy)ethyl 2,2-dioctyldecanoate

C30H60O4 — CID 141407378

IUPAC2-(2-hydroxyethoxy)ethyl 2,2-dioctyldecanoate
SMILESCCCCCCCCC(CCCCCCCC)(CCCCCCCC)C(=O)OCCOCCO
InChIInChI=1S/C30H60O4/c1-4-7-10-13-16-19-22-30(23-20-17-14-11-8-5-2,24-21-18-15-12-9-6-3)29(32)34-28-27-33-26-25-31/h31H,4-28H2,1-3H3
InChIKeyPCNQIVNGQQFLSZ-UHFFFAOYSA-N
MW484.81 g/mol
LogP8.78
Rot. Bonds27

About 2-(2-hydroxyethoxy)ethyl 2,2-dioctyldecanoate

2-(2-hydroxyethoxy)ethyl 2,2-dioctyldecanoate (PubChem CID 141407378) has the molecular formula C30H60O4 and a molecular weight of 484.81 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl 2,2-dioctyldecanoate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl 2,2-dioctyldecanoate
PubChem CID141407378
Molecular FormulaC30H60O4
Molecular Weight484.81 g/mol
Exact Mass484.45
IUPAC Name2-(2-hydroxyethoxy)ethyl 2,2-dioctyldecanoate
SMILESCCCCCCCCC(CCCCCCCC)(CCCCCCCC)C(=O)OCCOCCO
InChIInChI=1S/C30H60O4/c1-4-7-10-13-16-19-22-30(23-20-17-14-11-8-5-2,24-21-18-15-12-9-6-3)29(32)34-28-27-33-26-25-31/h31H,4-28H2,1-3H3
InChIKeyPCNQIVNGQQFLSZ-UHFFFAOYSA-N
XLogP8.78
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.81
LogP ≤ 58.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-hydroxyethoxy)ethyl 2,2-dioctyldecanoate 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

2-hydroxyethyl 2,2-diethyloctanoate
CID 164897952
octyl 2,2-dioctyldecanoate
CID 90110447
hexyl 2,2-dihexyloctanoate
CID 90110386
tridecyl 2,2-di(tridecyl)hexadecanoate
CID 175533725
azane;hexyl 2,2-dihexyloctanoate
CID 90110385
ethyl 2-heptyl-2-undecyltetradecanoate
CID 175402901
9-(2-hydroxyethyl)-9-octoxycarbonylheptadecanoic acid
CID 173373289
bis[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 2,2-didodecylpropanedioate
CID 101102682
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl decanoate
CID 139595421
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl nonanoate
CID 139594206
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl nonanoate
CID 139595493
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl decanoate
CID 139596714

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl 2,2-dioctyldecanoate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl 2,2-dioctyldecanoate (CID 141407378) is 2-(2-hydroxyethoxy)ethyl 2,2-dioctyldecanoate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl 2,2-dioctyldecanoate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl 2,2-dioctyldecanoate is CCCCCCCCC(CCCCCCCC)(CCCCCCCC)C(=O)OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl 2,2-dioctyldecanoate?
The InChIKey is PCNQIVNGQQFLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60O4/c1-4-7-10-13-16-19-22-30(23-20-17-14-11-8-5-2,24-21-18-15-12-9-6-3)29(32)34-28-27-33-26-25-31/h31H,4-28H2,1-3H3.
What are the key properties of 2-(2-hydroxyethoxy)ethyl 2,2-dioctyldecanoate?
2-(2-hydroxyethoxy)ethyl 2,2-dioctyldecanoate has a molecular weight of 484.81 g/mol, XLogP of 8.78, 27 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl 2,2-dioctyldecanoate is sourced from PubChem (CID 141407378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).