3,4-bis[1-[1-(1-ethoxyethoxy)ethoxy]ethyl]phthalic acid

C24H38O10 — CID 121375656

IUPAC3,4-bis[1-[1-(1-ethoxyethoxy)ethoxy]ethyl]phthalic acid
SMILESCCOC(C)OC(C)OC(C)c1ccc(C(=O)O)c(C(=O)O)c1C(C)OC(C)OC(C)OCC
InChIInChI=1S/C24H38O10/c1-9-29-15(5)33-17(7)31-13(3)19-11-12-20(23(25)26)22(24(27)28)21(19)14(4)32-18(8)34-16(6)30-10-2/h11-18H,9-10H2,1-8H3,(H,25,26)(H,27,28)
InChIKeyQVXVANRBACNBSK-UHFFFAOYSA-N
MW486.56 g/mol
LogP4.73
Rot. Bonds16

About 3,4-bis[1-[1-(1-ethoxyethoxy)ethoxy]ethyl]phthalic acid

3,4-bis[1-[1-(1-ethoxyethoxy)ethoxy]ethyl]phthalic acid (PubChem CID 121375656) has the molecular formula C24H38O10 and a molecular weight of 486.56 g/mol. Its IUPAC name is 3,4-bis[1-[1-(1-ethoxyethoxy)ethoxy]ethyl]phthalic acid.

Molecular Properties

Compound Name3,4-bis[1-[1-(1-ethoxyethoxy)ethoxy]ethyl]phthalic acid
PubChem CID121375656
Molecular FormulaC24H38O10
Molecular Weight486.56 g/mol
Exact Mass486.25
IUPAC Name3,4-bis[1-[1-(1-ethoxyethoxy)ethoxy]ethyl]phthalic acid
SMILESCCOC(C)OC(C)OC(C)c1ccc(C(=O)O)c(C(=O)O)c1C(C)OC(C)OC(C)OCC
InChIInChI=1S/C24H38O10/c1-9-29-15(5)33-17(7)31-13(3)19-11-12-20(23(25)26)22(24(27)28)21(19)14(4)32-18(8)34-16(6)30-10-2/h11-18H,9-10H2,1-8H3,(H,25,26)(H,27,28)
InChIKeyQVXVANRBACNBSK-UHFFFAOYSA-N
XLogP4.73
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.56
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3,4-bis[1-[1-(1-ethoxyethoxy)ethoxy]ethyl]phthalic acid 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

3,4-bis[1-[1-[1-(2-ethylhexoxy)ethoxy]ethoxy]ethyl]phthalic acid
CID 121375751
2,3-bis[1-(1-butoxyethoxy)ethyl]terephthalic acid
CID 121375638
3,4-bis(1-prop-2-enoyloxyethyl)phthalic acid
CID 18934233
2,4-bis[2-(1-octan-3-yloxyethoxy)ethyl]benzene-1,3-dicarboxylic acid
CID 121375738
2-[1-[1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-2-enoic acid
CID 175565416
2-(1-ethoxyethoxy)-1-phenylpropan-1-one
CID 13311945
4-(1-hydroxypropyl)-3-methylphthalic acid
CID 91002500
carbonic acid;1,1-diethoxyethane
CID 87827362
1-(1-ethoxyethoxy)ethyl carbamate
CID 175609517
4-butan-2-yl-3-heptylphthalic acid
CID 69471939
3,4-di(decan-4-yl)phthalic acid
CID 118111272
2-ethoxycarbonyl-4-methylbenzene-1,3-dicarboxylic acid
CID 157327254

Frequently Asked Questions

What is the IUPAC name of 3,4-bis[1-[1-(1-ethoxyethoxy)ethoxy]ethyl]phthalic acid?
The IUPAC name of 3,4-bis[1-[1-(1-ethoxyethoxy)ethoxy]ethyl]phthalic acid (CID 121375656) is 3,4-bis[1-[1-(1-ethoxyethoxy)ethoxy]ethyl]phthalic acid.
What is the SMILES notation for 3,4-bis[1-[1-(1-ethoxyethoxy)ethoxy]ethyl]phthalic acid?
The canonical SMILES for 3,4-bis[1-[1-(1-ethoxyethoxy)ethoxy]ethyl]phthalic acid is CCOC(C)OC(C)OC(C)c1ccc(C(=O)O)c(C(=O)O)c1C(C)OC(C)OC(C)OCC.
What is the InChIKey of 3,4-bis[1-[1-(1-ethoxyethoxy)ethoxy]ethyl]phthalic acid?
The InChIKey is QVXVANRBACNBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O10/c1-9-29-15(5)33-17(7)31-13(3)19-11-12-20(23(25)26)22(24(27)28)21(19)14(4)32-18(8)34-16(6)30-10-2/h11-18H,9-10H2,1-8H3,(H,25,26)(H,27,28).
What are the key properties of 3,4-bis[1-[1-(1-ethoxyethoxy)ethoxy]ethyl]phthalic acid?
3,4-bis[1-[1-(1-ethoxyethoxy)ethoxy]ethyl]phthalic acid has a molecular weight of 486.56 g/mol, XLogP of 4.73, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[1-[1-(1-ethoxyethoxy)ethoxy]ethyl]phthalic acid is sourced from PubChem (CID 121375656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).