2-[4-[diethoxy(phenyl)silyl]butyl]butanedioic acid

C18H28O6Si — CID 151412921

IUPAC2-[4-[diethoxy(phenyl)silyl]butyl]butanedioic acid
SMILESCCO[Si](CCCCC(CC(=O)O)C(=O)O)(OCC)c1ccccc1
InChIInChI=1S/C18H28O6Si/c1-3-23-25(24-4-2,16-11-6-5-7-12-16)13-9-8-10-15(18(21)22)14-17(19)20/h5-7,11-12,15H,3-4,8-10,13-14H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyOYXCIPVDDXXIAP-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.75
Rot. Bonds13

About 2-[4-[diethoxy(phenyl)silyl]butyl]butanedioic acid

2-[4-[diethoxy(phenyl)silyl]butyl]butanedioic acid (PubChem CID 151412921) has the molecular formula C18H28O6Si and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-[4-[diethoxy(phenyl)silyl]butyl]butanedioic acid.

Molecular Properties

Compound Name2-[4-[diethoxy(phenyl)silyl]butyl]butanedioic acid
PubChem CID151412921
Molecular FormulaC18H28O6Si
Molecular Weight368.50 g/mol
Exact Mass368.17
IUPAC Name2-[4-[diethoxy(phenyl)silyl]butyl]butanedioic acid
SMILESCCO[Si](CCCCC(CC(=O)O)C(=O)O)(OCC)c1ccccc1
InChIInChI=1S/C18H28O6Si/c1-3-23-25(24-4-2,16-11-6-5-7-12-16)13-9-8-10-15(18(21)22)14-17(19)20/h5-7,11-12,15H,3-4,8-10,13-14H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyOYXCIPVDDXXIAP-UHFFFAOYSA-N
XLogP2.75
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[diethoxy(phenyl)silyl]butyl]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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[diethoxy(phenyl)silyl]butyl]butanedioic acid?
The IUPAC name of 2-[4-[diethoxy(phenyl)silyl]butyl]butanedioic acid (CID 151412921) is 2-[4-[diethoxy(phenyl)silyl]butyl]butanedioic acid.
What is the SMILES notation for 2-[4-[diethoxy(phenyl)silyl]butyl]butanedioic acid?
The canonical SMILES for 2-[4-[diethoxy(phenyl)silyl]butyl]butanedioic acid is CCO[Si](CCCCC(CC(=O)O)C(=O)O)(OCC)c1ccccc1.
What is the InChIKey of 2-[4-[diethoxy(phenyl)silyl]butyl]butanedioic acid?
The InChIKey is OYXCIPVDDXXIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O6Si/c1-3-23-25(24-4-2,16-11-6-5-7-12-16)13-9-8-10-15(18(21)22)14-17(19)20/h5-7,11-12,15H,3-4,8-10,13-14H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-[4-[diethoxy(phenyl)silyl]butyl]butanedioic acid?
2-[4-[diethoxy(phenyl)silyl]butyl]butanedioic acid has a molecular weight of 368.50 g/mol, XLogP of 2.75, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[diethoxy(phenyl)silyl]butyl]butanedioic acid is sourced from PubChem (CID 151412921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).