1-trimethoxysilylethyl 2-chloroprop-2-enoate

C8H15ClO5Si — CID 88820893

IUPAC1-trimethoxysilylethyl 2-chloroprop-2-enoate
SMILESC=C(Cl)C(=O)OC(C)[Si](OC)(OC)OC
InChIInChI=1S/C8H15ClO5Si/c1-6(9)8(10)14-7(2)15(11-3,12-4)13-5/h7H,1H2,2-5H3
InChIKeyFIODFZKPGJNPQK-UHFFFAOYSA-N
MW254.74 g/mol
LogP1.09
Rot. Bonds6

About 1-trimethoxysilylethyl 2-chloroprop-2-enoate

1-trimethoxysilylethyl 2-chloroprop-2-enoate (PubChem CID 88820893) has the molecular formula C8H15ClO5Si and a molecular weight of 254.74 g/mol. Its IUPAC name is 1-trimethoxysilylethyl 2-chloroprop-2-enoate.

Molecular Properties

Compound Name1-trimethoxysilylethyl 2-chloroprop-2-enoate
PubChem CID88820893
Molecular FormulaC8H15ClO5Si
Molecular Weight254.74 g/mol
Exact Mass254.04
IUPAC Name1-trimethoxysilylethyl 2-chloroprop-2-enoate
SMILESC=C(Cl)C(=O)OC(C)[Si](OC)(OC)OC
InChIInChI=1S/C8H15ClO5Si/c1-6(9)8(10)14-7(2)15(11-3,12-4)13-5/h7H,1H2,2-5H3
InChIKeyFIODFZKPGJNPQK-UHFFFAOYSA-N
XLogP1.09
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxyethyl 2-chloroprop-2-enoate
CID 22155739
3-hydroxybutan-2-yl 2-chloroprop-2-enoate
CID 87235238
(1-hydroxy-2-methylpropyl) 2-chloroprop-2-enoate
CID 87235484
1-[dimethoxy(methyl)silyl]ethyl 2-methylprop-2-enoate
CID 140540481
methyl (Z)-2-(1-chloroethenyl)-4-methylpent-2-enoate
CID 16742719
2-trimethoxysilylpropanoic acid
CID 19100244
propan-2-yl carbonochloridate
CID 7917
1,1-dichloropropan-2-yl(trimethoxy)silane
CID 57128304
methyl 2-chloroprop-2-enoate;pyrrole-2,5-dione
CID 88791561
1-(3-hydroxypropoxy)propyl 2-chloroprop-2-enoate
CID 88836592
propan-2-yl 2-methylprop-2-enoate
CID 146421311
trimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
CID 175093627

Frequently Asked Questions

What is the IUPAC name of 1-trimethoxysilylethyl 2-chloroprop-2-enoate?
The IUPAC name of 1-trimethoxysilylethyl 2-chloroprop-2-enoate (CID 88820893) is 1-trimethoxysilylethyl 2-chloroprop-2-enoate.
What is the SMILES notation for 1-trimethoxysilylethyl 2-chloroprop-2-enoate?
The canonical SMILES for 1-trimethoxysilylethyl 2-chloroprop-2-enoate is C=C(Cl)C(=O)OC(C)[Si](OC)(OC)OC.
What is the InChIKey of 1-trimethoxysilylethyl 2-chloroprop-2-enoate?
The InChIKey is FIODFZKPGJNPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClO5Si/c1-6(9)8(10)14-7(2)15(11-3,12-4)13-5/h7H,1H2,2-5H3.
What are the key properties of 1-trimethoxysilylethyl 2-chloroprop-2-enoate?
1-trimethoxysilylethyl 2-chloroprop-2-enoate has a molecular weight of 254.74 g/mol, XLogP of 1.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethoxysilylethyl 2-chloroprop-2-enoate is sourced from PubChem (CID 88820893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).