2-(10,10-diethoxydecyl)butanedioic acid

C18H34O6 — CID 175433679

IUPAC2-(10,10-diethoxydecyl)butanedioic acid
SMILESCCOC(CCCCCCCCCC(CC(=O)O)C(=O)O)OCC
InChIInChI=1S/C18H34O6/c1-3-23-17(24-4-2)13-11-9-7-5-6-8-10-12-15(18(21)22)14-16(19)20/h15,17H,3-14H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyLSGVQMHIJCXATI-UHFFFAOYSA-N
MW346.46 g/mol
LogP4.07
Rot. Bonds17

About 2-(10,10-diethoxydecyl)butanedioic acid

2-(10,10-diethoxydecyl)butanedioic acid (PubChem CID 175433679) has the molecular formula C18H34O6 and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-(10,10-diethoxydecyl)butanedioic acid.

Molecular Properties

Compound Name2-(10,10-diethoxydecyl)butanedioic acid
PubChem CID175433679
Molecular FormulaC18H34O6
Molecular Weight346.46 g/mol
Exact Mass346.24
IUPAC Name2-(10,10-diethoxydecyl)butanedioic acid
SMILESCCOC(CCCCCCCCCC(CC(=O)O)C(=O)O)OCC
InChIInChI=1S/C18H34O6/c1-3-23-17(24-4-2)13-11-9-7-5-6-8-10-12-15(18(21)22)14-16(19)20/h15,17H,3-14H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyLSGVQMHIJCXATI-UHFFFAOYSA-N
XLogP4.07
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(10,10-diethoxydecyl)butanedioic 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

nonane-1,2,8,9-tetracarboxylic acid
CID 139878415
2-hexadecylbutanedioic acid;octadecane
CID 174480572
(2R)-2-dodecylbutanedioic acid
CID 98461760
CID 87764035
CID 87764035
2-dodecylbutanedioic acid;propan-2-ol
CID 88833990
6,6-diethoxyhexanoic acid;indigane
CID 175089271
2-(7-methylpentadecyl)butanedioic acid
CID 141435269
2-(5-methylhexyl)butanedioic acid
CID 174966499
heptane-1,2,7-tricarboxylic acid
CID 86256210
heptadecane-1,2,17-tricarboxylic acid
CID 174547232
2-[(E)-dodec-10-enyl]butanedioic acid
CID 101277909
2-(9-ethyltetradecyl)butanedioic acid
CID 174907381

Frequently Asked Questions

What is the IUPAC name of 2-(10,10-diethoxydecyl)butanedioic acid?
The IUPAC name of 2-(10,10-diethoxydecyl)butanedioic acid (CID 175433679) is 2-(10,10-diethoxydecyl)butanedioic acid.
What is the SMILES notation for 2-(10,10-diethoxydecyl)butanedioic acid?
The canonical SMILES for 2-(10,10-diethoxydecyl)butanedioic acid is CCOC(CCCCCCCCCC(CC(=O)O)C(=O)O)OCC.
What is the InChIKey of 2-(10,10-diethoxydecyl)butanedioic acid?
The InChIKey is LSGVQMHIJCXATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O6/c1-3-23-17(24-4-2)13-11-9-7-5-6-8-10-12-15(18(21)22)14-16(19)20/h15,17H,3-14H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-(10,10-diethoxydecyl)butanedioic acid?
2-(10,10-diethoxydecyl)butanedioic acid has a molecular weight of 346.46 g/mol, XLogP of 4.07, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10,10-diethoxydecyl)butanedioic acid is sourced from PubChem (CID 175433679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).