oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane

C7H12O4Si — CID 174970981

IUPACoxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane
SMILESC=C(C)C(=O)OCC1CO1.O=[SiH2]
InChIInChI=1S/C7H10O3.H2OSi/c1-5(2)7(8)10-4-6-3-9-6;1-2/h6H,1,3-4H2,2H3;2H2
InChIKeyKNIPYLZAIMMTCA-UHFFFAOYSA-N
MW188.25 g/mol
LogP-0.53
Rot. Bonds3

About oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane

oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane (PubChem CID 174970981) has the molecular formula C7H12O4Si and a molecular weight of 188.25 g/mol. Its IUPAC name is oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane.

Molecular Properties

Compound Nameoxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane
PubChem CID174970981
Molecular FormulaC7H12O4Si
Molecular Weight188.25 g/mol
Exact Mass188.05
IUPAC Nameoxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane
SMILESC=C(C)C(=O)OCC1CO1.O=[SiH2]
InChIInChI=1S/C7H10O3.H2OSi/c1-5(2)7(8)10-4-6-3-9-6;1-2/h6H,1,3-4H2,2H3;2H2
InChIKeyKNIPYLZAIMMTCA-UHFFFAOYSA-N
XLogP-0.53
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87727049
2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate;phosphoric acid
CID 175461208
2-methylprop-2-enenitrile;oxiran-2-ylmethyl 2-methylprop-2-enoate;hydrate
CID 174885519
ethyl acetate;methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 174820350
3-methylbut-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 158470137
but-3-enoic acid;ethene;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 175778855
2-hydroxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 86750009
7-oxabicyclo[4.1.0]heptan-3-ylmethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159462145
N-(hydroxymethyl)prop-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 158465618

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane?
The IUPAC name of oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane (CID 174970981) is oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane.
What is the SMILES notation for oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane?
The canonical SMILES for oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane is C=C(C)C(=O)OCC1CO1.O=[SiH2].
What is the InChIKey of oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane?
The InChIKey is KNIPYLZAIMMTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.H2OSi/c1-5(2)7(8)10-4-6-3-9-6;1-2/h6H,1,3-4H2,2H3;2H2.
What are the key properties of oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane?
oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane has a molecular weight of 188.25 g/mol, XLogP of -0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane is sourced from PubChem (CID 174970981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).