CID 87097403

C5H11O5Si — CID 87097403

IUPAC—
SMILESCC(O[Si](CO)CO)C(=O)O
InChIInChI=1S/C5H11O5Si/c1-4(5(8)9)10-11(2-6)3-7/h4,6-7H,2-3H2,1H3,(H,8,9)
InChIKeyVWFWVNQFPRBRSX-UHFFFAOYSA-N
MW179.22 g/mol
LogP-1.47
Rot. Bonds5

About CID 87097403

CID 87097403 (PubChem CID 87097403) has the molecular formula C5H11O5Si and a molecular weight of 179.22 g/mol.

Molecular Properties

Compound NameCID 87097403
PubChem CID87097403
Molecular FormulaC5H11O5Si
Molecular Weight179.22 g/mol
Exact Mass179.04
IUPAC Name—
SMILESCC(O[Si](CO)CO)C(=O)O
InChIInChI=1S/C5H11O5Si/c1-4(5(8)9)10-11(2-6)3-7/h4,6-7H,2-3H2,1H3,(H,8,9)
InChIKeyVWFWVNQFPRBRSX-UHFFFAOYSA-N
XLogP-1.47
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 87097403 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

2-(1-carboxyethoxy)butanedioic acid
CID 18176039
2-methylperoxypropanoic acid
CID 151920792
potassium;hydride;2-(2-hydroxypropanoyloxy)propanoic acid
CID 173006474
ethane-1,2-diol;2-ethoxypropanoic acid
CID 87566881
2-[1-carboxyethoxy(1-hydroxypropan-2-yloxy)phosphoryl]oxypropanoic acid
CID 165361288
2-(cyclopentylmethoxy)propanoic acid
CID 66322360
tridecasodium;hydride;pentakis(2-hydroxypropanoic acid)
CID 173456242
dilithium;hydride;2-hydroxypropanoic acid
CID 174731520
hydride;2-hydroxypropanoic acid;rubidium(1+)
CID 173047351
(2S)-2-(2-ethylbutoxy)propanoic acid
CID 104876124
2-ethoxypropanoic acid;methane
CID 160636954
(2S)-2-[(2S)-2-hydroxypropanoyl]oxypropanoic acid
CID 139060964

Frequently Asked Questions

What is the IUPAC name of CID 87097403?
The IUPAC name of CID 87097403 (CID 87097403) is not available.
What is the SMILES notation for CID 87097403?
The canonical SMILES for CID 87097403 is CC(O[Si](CO)CO)C(=O)O.
What is the InChIKey of CID 87097403?
The InChIKey is VWFWVNQFPRBRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O5Si/c1-4(5(8)9)10-11(2-6)3-7/h4,6-7H,2-3H2,1H3,(H,8,9).
What are the key properties of CID 87097403?
CID 87097403 has a molecular weight of 179.22 g/mol, XLogP of -1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87097403 is sourced from PubChem (CID 87097403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).