[dihydroxy(methoxy)silyl] prop-2-eneperoxoate

C4H8O6Si — CID 174400188

IUPAC[dihydroxy(methoxy)silyl] prop-2-eneperoxoate
SMILESC=CC(=O)OO[Si](O)(O)OC
InChIInChI=1S/C4H8O6Si/c1-3-4(5)9-10-11(6,7)8-2/h3,6-7H,1H2,2H3
InChIKeyYZMFFQXEOPRICB-UHFFFAOYSA-N
MW180.19 g/mol
LogP-1.29
Rot. Bonds4

About [dihydroxy(methoxy)silyl] prop-2-eneperoxoate

[dihydroxy(methoxy)silyl] prop-2-eneperoxoate (PubChem CID 174400188) has the molecular formula C4H8O6Si and a molecular weight of 180.19 g/mol. Its IUPAC name is [dihydroxy(methoxy)silyl] prop-2-eneperoxoate.

Molecular Properties

Compound Name[dihydroxy(methoxy)silyl] prop-2-eneperoxoate
PubChem CID174400188
Molecular FormulaC4H8O6Si
Molecular Weight180.19 g/mol
Exact Mass180.01
IUPAC Name[dihydroxy(methoxy)silyl] prop-2-eneperoxoate
SMILESC=CC(=O)OO[Si](O)(O)OC
InChIInChI=1S/C4H8O6Si/c1-3-4(5)9-10-11(6,7)8-2/h3,6-7H,1H2,2H3
InChIKeyYZMFFQXEOPRICB-UHFFFAOYSA-N
XLogP-1.29
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

methyl prop-2-eneperoxoate;methyl prop-2-enoate
CID 158304508
trimethoxysilyloxymethyl prop-2-eneperoxoate
CID 151754564
dimethylamino prop-2-enoate
CID 20697927
carbamic acid;methyl prop-2-eneperoxoate
CID 160528403
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
ethane-1,2-diol;ethene;methyl prop-2-eneperoxoate
CID 173344344
but-1-ene;methyl prop-2-eneperoxoate
CID 157272796
azane;dimethylamino prop-2-enoate
CID 162313992
ethenoxyethene;methyl prop-2-enoate
CID 159119515
methoxymethane;prop-2-enoic acid
CID 22665045
amino prop-2-eneperoxoate
CID 54317531
N-methylmethanamine;methyl prop-2-enoate
CID 160519545

Frequently Asked Questions

What is the IUPAC name of [dihydroxy(methoxy)silyl] prop-2-eneperoxoate?
The IUPAC name of [dihydroxy(methoxy)silyl] prop-2-eneperoxoate (CID 174400188) is [dihydroxy(methoxy)silyl] prop-2-eneperoxoate.
What is the SMILES notation for [dihydroxy(methoxy)silyl] prop-2-eneperoxoate?
The canonical SMILES for [dihydroxy(methoxy)silyl] prop-2-eneperoxoate is C=CC(=O)OO[Si](O)(O)OC.
What is the InChIKey of [dihydroxy(methoxy)silyl] prop-2-eneperoxoate?
The InChIKey is YZMFFQXEOPRICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O6Si/c1-3-4(5)9-10-11(6,7)8-2/h3,6-7H,1H2,2H3.
What are the key properties of [dihydroxy(methoxy)silyl] prop-2-eneperoxoate?
[dihydroxy(methoxy)silyl] prop-2-eneperoxoate has a molecular weight of 180.19 g/mol, XLogP of -1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [dihydroxy(methoxy)silyl] prop-2-eneperoxoate is sourced from PubChem (CID 174400188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).