dibutyl benzene-1,2-dicarboxylate;2-(2-hydroxyethoxy)ethanol

C20H32O7 — CID 21326814

IUPACdibutyl benzene-1,2-dicarboxylate;2-(2-hydroxyethoxy)ethanol
SMILESCCCCOC(=O)c1ccccc1C(=O)OCCCC.OCCOCCO
InChIInChI=1S/C16H22O4.C4H10O3/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2;5-1-3-7-4-2-6/h7-10H,3-6,11-12H2,1-2H3;5-6H,1-4H2
InChIKeyHKFXWKHAEFWJGE-UHFFFAOYSA-N
MW384.47 g/mol
LogP2.59
Rot. Bonds12

About dibutyl benzene-1,2-dicarboxylate;2-(2-hydroxyethoxy)ethanol

dibutyl benzene-1,2-dicarboxylate;2-(2-hydroxyethoxy)ethanol (PubChem CID 21326814) has the molecular formula C20H32O7 and a molecular weight of 384.47 g/mol. Its IUPAC name is dibutyl benzene-1,2-dicarboxylate;2-(2-hydroxyethoxy)ethanol.

Molecular Properties

Compound Namedibutyl benzene-1,2-dicarboxylate;2-(2-hydroxyethoxy)ethanol
PubChem CID21326814
Molecular FormulaC20H32O7
Molecular Weight384.47 g/mol
Exact Mass384.21
IUPAC Namedibutyl benzene-1,2-dicarboxylate;2-(2-hydroxyethoxy)ethanol
SMILESCCCCOC(=O)c1ccccc1C(=O)OCCCC.OCCOCCO
InChIInChI=1S/C16H22O4.C4H10O3/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2;5-1-3-7-4-2-6/h7-10H,3-6,11-12H2,1-2H3;5-6H,1-4H2
InChIKeyHKFXWKHAEFWJGE-UHFFFAOYSA-N
XLogP2.59
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-O-decyl 2-O-[2-(2-hydroxyethoxy)ethyl] benzene-1,2-dicarboxylate
CID 170841279
dibutyl benzene-1,2-dicarboxylate
CID 69108201
benzene;dibutyl benzene-1,2-dicarboxylate
CID 19818080
2-O-(2-hydroxyethyl) 1-O-octyl benzene-1,2-dicarboxylate
CID 150225256
sodium;dibutyl benzene-1,2-dicarboxylate;hydride
CID 174330340
dioctyl benzene-1,2-dicarboxylate;ethane-1,2-diol
CID 19013740
dinonyl benzene-1,2-dicarboxylate;dioctyl benzene-1,2-dicarboxylate
CID 159101599
1-O-hexyl 2-O-tetradecyl benzene-1,2-dicarboxylate
CID 6423379
diicosyl benzene-1,2-dicarboxylate
CID 22491819
2-O-nonyl 1-O-pentyl benzene-1,2-dicarboxylate
CID 6423391
ditridecyl benzene-1,2-dicarboxylate
CID 8379
didecyl benzene-1,2-dicarboxylate;ditridecyl benzene-1,2-dicarboxylate
CID 88778936

Frequently Asked Questions

What is the IUPAC name of dibutyl benzene-1,2-dicarboxylate;2-(2-hydroxyethoxy)ethanol?
The IUPAC name of dibutyl benzene-1,2-dicarboxylate;2-(2-hydroxyethoxy)ethanol (CID 21326814) is dibutyl benzene-1,2-dicarboxylate;2-(2-hydroxyethoxy)ethanol.
What is the SMILES notation for dibutyl benzene-1,2-dicarboxylate;2-(2-hydroxyethoxy)ethanol?
The canonical SMILES for dibutyl benzene-1,2-dicarboxylate;2-(2-hydroxyethoxy)ethanol is CCCCOC(=O)c1ccccc1C(=O)OCCCC.OCCOCCO.
What is the InChIKey of dibutyl benzene-1,2-dicarboxylate;2-(2-hydroxyethoxy)ethanol?
The InChIKey is HKFXWKHAEFWJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4.C4H10O3/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2;5-1-3-7-4-2-6/h7-10H,3-6,11-12H2,1-2H3;5-6H,1-4H2.
What are the key properties of dibutyl benzene-1,2-dicarboxylate;2-(2-hydroxyethoxy)ethanol?
dibutyl benzene-1,2-dicarboxylate;2-(2-hydroxyethoxy)ethanol has a molecular weight of 384.47 g/mol, XLogP of 2.59, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl benzene-1,2-dicarboxylate;2-(2-hydroxyethoxy)ethanol is sourced from PubChem (CID 21326814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).