4-aminobenzoic acid;oxasilinane

C11H17NO3Si — CID 174807043

IUPAC4-aminobenzoic acid;oxasilinane
SMILESC1CC[SiH2]OC1.Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C7H7NO2.C4H10OSi/c8-6-3-1-5(2-4-6)7(9)10;1-2-4-6-5-3-1/h1-4H,8H2,(H,9,10);1-4,6H2
InChIKeyBOOIULJGUWEYJH-UHFFFAOYSA-N
MW239.35 g/mol
LogP1.27
Rot. Bonds1

About 4-aminobenzoic acid;oxasilinane

4-aminobenzoic acid;oxasilinane (PubChem CID 174807043) has the molecular formula C11H17NO3Si and a molecular weight of 239.35 g/mol. Its IUPAC name is 4-aminobenzoic acid;oxasilinane.

Molecular Properties

Compound Name4-aminobenzoic acid;oxasilinane
PubChem CID174807043
Molecular FormulaC11H17NO3Si
Molecular Weight239.35 g/mol
Exact Mass239.10
IUPAC Name4-aminobenzoic acid;oxasilinane
SMILESC1CC[SiH2]OC1.Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C7H7NO2.C4H10OSi/c8-6-3-1-5(2-4-6)7(9)10;1-2-4-6-5-3-1/h1-4H,8H2,(H,9,10);1-4,6H2
InChIKeyBOOIULJGUWEYJH-UHFFFAOYSA-N
XLogP1.27
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-aminobenzoic acid;oxasilinane 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

bis(4-aminobenzoic acid);oxolane
CID 66588912
4-aminobenzoic acid;hydrofluoride
CID 159690577
hexakis(4-aminobenzoic acid);tris(1,4,7,10,13,16-hexaoxacyclooctadecane)
CID 139064226
4-aminobenzoic acid;cyclohexane-1,2,3,4,5,6-hexol
CID 67913871
bis(4-aminobenzoic acid);ethene
CID 158776608
benzene-1,4-diamine;naphthalene-2,6-dicarboxylic acid
CID 175159598
azane;oxasilinane
CID 173332009
terephthalic acid;dihydrofluoride
CID 70485309
4-aminobenzoic acid;1,3-diazinane-2,4,6-trione
CID 139205213
bis(4-aminobenzoic acid);dihydroxy(oxo)azanium;silver;hydrate
CID 6395154
4-[2-(4-aminophenoxy)ethoxy]benzoic acid
CID 82147710
4-aminobenzoic acid;cyclopropane;ethane-1,2-diol;bis(2-sulfanylacetic acid)
CID 174619190

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzoic acid;oxasilinane?
The IUPAC name of 4-aminobenzoic acid;oxasilinane (CID 174807043) is 4-aminobenzoic acid;oxasilinane.
What is the SMILES notation for 4-aminobenzoic acid;oxasilinane?
The canonical SMILES for 4-aminobenzoic acid;oxasilinane is C1CC[SiH2]OC1.Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-aminobenzoic acid;oxasilinane?
The InChIKey is BOOIULJGUWEYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C4H10OSi/c8-6-3-1-5(2-4-6)7(9)10;1-2-4-6-5-3-1/h1-4H,8H2,(H,9,10);1-4,6H2.
What are the key properties of 4-aminobenzoic acid;oxasilinane?
4-aminobenzoic acid;oxasilinane has a molecular weight of 239.35 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzoic acid;oxasilinane is sourced from PubChem (CID 174807043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).