CID 88648696

C12H22O6Si — CID 88648696

IUPAC—
SMILESCCOC=CC(=O)O.CCOC=CC(=O)O.C[Si]C
InChIInChI=1S/2C5H8O3.C2H6Si/c2*1-2-8-4-3-5(6)7;1-3-2/h2*3-4H,2H2,1H3,(H,6,7);1-2H3
InChIKeyHBAWXLUXXYRAEZ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.03
Rot. Bonds6

About CID 88648696

CID 88648696 (PubChem CID 88648696) has the molecular formula C12H22O6Si and a molecular weight of 290.39 g/mol.

Molecular Properties

Compound NameCID 88648696
PubChem CID88648696
Molecular FormulaC12H22O6Si
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name—
SMILESCCOC=CC(=O)O.CCOC=CC(=O)O.C[Si]C
InChIInChI=1S/2C5H8O3.C2H6Si/c2*1-2-8-4-3-5(6)7;1-3-2/h2*3-4H,2H2,1H3,(H,6,7);1-2H3
InChIKeyHBAWXLUXXYRAEZ-UHFFFAOYSA-N
XLogP2.03
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze CID 88648696 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

ethanol;3-ethoxyprop-2-enoic acid
CID 173210904
ethanol;3-ethoxyprop-2-enoic acid
CID 173050245
CID 88648552
CID 88648552
2,2-dimethyl-3-methylperoxypropan-1-ol;3-ethoxyprop-2-enoic acid
CID 173272341
(Z)-but-2-enedioic acid;ethenoxyethane
CID 87901809
cyano 3-ethoxyprop-2-enoate
CID 87984683
2-cyanoethyl 3-ethoxyprop-2-enoate
CID 152664001
methyl 4-ethoxy-2-oxobut-3-enoate
CID 54443622
4-ethoxy-1,1,1-trifluorobut-3-en-2-one
CID 159823844
(E)-but-2-enedioic acid;ethanamine
CID 173189224
5-methoxypenta-2,4-dienoic acid
CID 54531073
ethenyl (E)-3-ethoxyprop-2-enoate
CID 142695290

Frequently Asked Questions

What is the IUPAC name of CID 88648696?
The IUPAC name of CID 88648696 (CID 88648696) is not available.
What is the SMILES notation for CID 88648696?
The canonical SMILES for CID 88648696 is CCOC=CC(=O)O.CCOC=CC(=O)O.C[Si]C.
What is the InChIKey of CID 88648696?
The InChIKey is HBAWXLUXXYRAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8O3.C2H6Si/c2*1-2-8-4-3-5(6)7;1-3-2/h2*3-4H,2H2,1H3,(H,6,7);1-2H3.
What are the key properties of CID 88648696?
CID 88648696 has a molecular weight of 290.39 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88648696 is sourced from PubChem (CID 88648696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).