bis[2-(2-ethoxyethoxy)octyl] carbonate

C25H50O7 — CID 87841193

IUPACbis[2-(2-ethoxyethoxy)octyl] carbonate
SMILESCCCCCCC(COC(=O)OCC(CCCCCC)OCCOCC)OCCOCC
InChIInChI=1S/C25H50O7/c1-5-9-11-13-15-23(29-19-17-27-7-3)21-31-25(26)32-22-24(16-14-12-10-6-2)30-20-18-28-8-4/h23-24H,5-22H2,1-4H3
InChIKeyFGOPBRBGQIFBTQ-UHFFFAOYSA-N
MW462.67 g/mol
LogP5.92
Rot. Bonds24

About bis[2-(2-ethoxyethoxy)octyl] carbonate

bis[2-(2-ethoxyethoxy)octyl] carbonate (PubChem CID 87841193) has the molecular formula C25H50O7 and a molecular weight of 462.67 g/mol. Its IUPAC name is bis[2-(2-ethoxyethoxy)octyl] carbonate.

Molecular Properties

Compound Namebis[2-(2-ethoxyethoxy)octyl] carbonate
PubChem CID87841193
Molecular FormulaC25H50O7
Molecular Weight462.67 g/mol
Exact Mass462.36
IUPAC Namebis[2-(2-ethoxyethoxy)octyl] carbonate
SMILESCCCCCCC(COC(=O)OCC(CCCCCC)OCCOCC)OCCOCC
InChIInChI=1S/C25H50O7/c1-5-9-11-13-15-23(29-19-17-27-7-3)21-31-25(26)32-22-24(16-14-12-10-6-2)30-20-18-28-8-4/h23-24H,5-22H2,1-4H3
InChIKeyFGOPBRBGQIFBTQ-UHFFFAOYSA-N
XLogP5.92
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.67
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze bis[2-(2-ethoxyethoxy)octyl] carbonate 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-(2-ethoxyethoxy)heptyl hydrogen carbonate
CID 139923312
2-(2-ethoxyethoxy)pentyl acetate
CID 87309415
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]dodecyl prop-2-enoate
CID 102433631
2-ethoxyoctyl hydrogen carbonate
CID 139923121
2-[2-[2-[1-(1-carboxynonoxy)decan-2-yloxy]ethoxy]decoxy]decanoic acid
CID 10010065
1-(2-dodecoxydecoxy)dodecane
CID 175347971
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecan-6-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87268686
1-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tridecan-1-ol
CID 175685028
2-[2-(2-hydroxyethoxy)decoxy]ethanol
CID 12555020
ethyl (2S)-2-methyl-4-pentadecan-8-yloxybutanoate
CID 138729147
[4-(2-ethoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]butyl] hydrogen carbonate
CID 139923284
4-(2-ethoxybutoxy)butyl 2-ethoxyethyl carbonate
CID 87247774

Frequently Asked Questions

What is the IUPAC name of bis[2-(2-ethoxyethoxy)octyl] carbonate?
The IUPAC name of bis[2-(2-ethoxyethoxy)octyl] carbonate (CID 87841193) is bis[2-(2-ethoxyethoxy)octyl] carbonate.
What is the SMILES notation for bis[2-(2-ethoxyethoxy)octyl] carbonate?
The canonical SMILES for bis[2-(2-ethoxyethoxy)octyl] carbonate is CCCCCCC(COC(=O)OCC(CCCCCC)OCCOCC)OCCOCC.
What is the InChIKey of bis[2-(2-ethoxyethoxy)octyl] carbonate?
The InChIKey is FGOPBRBGQIFBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50O7/c1-5-9-11-13-15-23(29-19-17-27-7-3)21-31-25(26)32-22-24(16-14-12-10-6-2)30-20-18-28-8-4/h23-24H,5-22H2,1-4H3.
What are the key properties of bis[2-(2-ethoxyethoxy)octyl] carbonate?
bis[2-(2-ethoxyethoxy)octyl] carbonate has a molecular weight of 462.67 g/mol, XLogP of 5.92, 24 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(2-ethoxyethoxy)octyl] carbonate is sourced from PubChem (CID 87841193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).