CID 136820032

C5H9OSi- — CID 136820032

IUPAC—
SMILESCC(C)(C)C(=O)[Si-]
InChIInChI=1S/C5H9OSi/c1-5(2,3)4(6)7/h1-3H3/q-1
InChIKeyQJALEOVDDQPNCM-UHFFFAOYSA-N
MW113.21 g/mol
LogP0.73
Rot. Bonds

About CID 136820032

CID 136820032 (PubChem CID 136820032) has the molecular formula C5H9OSi- and a molecular weight of 113.21 g/mol.

Molecular Properties

Compound NameCID 136820032
PubChem CID136820032
Molecular FormulaC5H9OSi-
Molecular Weight113.21 g/mol
Exact Mass113.04
IUPAC Name—
SMILESCC(C)(C)C(=O)[Si-]
InChIInChI=1S/C5H9OSi/c1-5(2,3)4(6)7/h1-3H3/q-1
InChIKeyQJALEOVDDQPNCM-UHFFFAOYSA-N
XLogP0.73
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.21
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropanoic acid
CID 87781698
2,2-dimethylpropanoic acid;lanthanum
CID 160817860
tetrakis(2,2-dimethylpropanoic acid);molybdenum
CID 171378141
2,2-dimethylpropanoic acid;rhenium;chloride
CID 25015528
potassium 2,2-dimethylpropanoate
CID 23662159
2,2-dimethylpropanoate;palladium
CID 146681285
iodanium 2,2-dimethylpropanoate
CID 172810367
barium(2+);bis(2,2-dimethylpropanoate)
CID 15120173
sodium 2,2-dimethylpropanoylazanide
CID 141381046
magnesium;2,2-dimethylpropanoic acid;hydride
CID 173170298
CID 173421709
CID 173421709
3,3-dimethylbutan-2-one;2,2-dimethylpropanoic acid
CID 162191705

Frequently Asked Questions

What is the IUPAC name of CID 136820032?
The IUPAC name of CID 136820032 (CID 136820032) is not available.
What is the SMILES notation for CID 136820032?
The canonical SMILES for CID 136820032 is CC(C)(C)C(=O)[Si-].
What is the InChIKey of CID 136820032?
The InChIKey is QJALEOVDDQPNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9OSi/c1-5(2,3)4(6)7/h1-3H3/q-1.
What are the key properties of CID 136820032?
CID 136820032 has a molecular weight of 113.21 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136820032 is sourced from PubChem (CID 136820032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).