1-[chloro(dimethyl)silyl]prop-1-enyl prop-2-enoate

C8H13ClO2Si — CID 173302819

IUPAC1-[chloro(dimethyl)silyl]prop-1-enyl prop-2-enoate
SMILESC=CC(=O)OC(=CC)[Si](C)(C)Cl
InChIInChI=1S/C8H13ClO2Si/c1-5-7(10)11-8(6-2)12(3,4)9/h5-6H,1H2,2-4H3
InChIKeySZIBSHBQSZDTPX-UHFFFAOYSA-N
MW204.73 g/mol
LogP2.60
Rot. Bonds3

About 1-[chloro(dimethyl)silyl]prop-1-enyl prop-2-enoate

1-[chloro(dimethyl)silyl]prop-1-enyl prop-2-enoate (PubChem CID 173302819) has the molecular formula C8H13ClO2Si and a molecular weight of 204.73 g/mol. Its IUPAC name is 1-[chloro(dimethyl)silyl]prop-1-enyl prop-2-enoate.

Molecular Properties

Compound Name1-[chloro(dimethyl)silyl]prop-1-enyl prop-2-enoate
PubChem CID173302819
Molecular FormulaC8H13ClO2Si
Molecular Weight204.73 g/mol
Exact Mass204.04
IUPAC Name1-[chloro(dimethyl)silyl]prop-1-enyl prop-2-enoate
SMILESC=CC(=O)OC(=CC)[Si](C)(C)Cl
InChIInChI=1S/C8H13ClO2Si/c1-5-7(10)11-8(6-2)12(3,4)9/h5-6H,1H2,2-4H3
InChIKeySZIBSHBQSZDTPX-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.73
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1-chloroprop-1-enyl] prop-2-enoate
CID 88621042
prop-1-ene;sulfanyl prop-2-enoate
CID 159134207
acetyl prop-2-enoate;ethene
CID 157340658
lithium;potassium;hydride;prop-2-enoyl prop-2-enoate
CID 173405151
disodium;hydride;prop-2-enoyl 2-methylbut-2-enoate
CID 173200570
[(1Z)-1-hydroxy-2-methylbuta-1,3-dienyl] prop-2-enoate
CID 139618081
prop-2-enoyl 2-methylprop-2-enoate;zinc
CID 146295420
prop-2-enoyl 2,3-dimethylbut-2-enoate
CID 87154660
1,2,2-trihydroxyethenyl prop-2-enoate
CID 140527484
[(3E,5Z)-hepta-1,3,5-trien-4-yl] prop-2-enoate
CID 118422055
[dichloro(ethyl)silyl]methyl prop-2-enoate
CID 140514635
4-[dichloro(methyl)silyl]butan-2-yl prop-2-enoate
CID 159860704

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(dimethyl)silyl]prop-1-enyl prop-2-enoate?
The IUPAC name of 1-[chloro(dimethyl)silyl]prop-1-enyl prop-2-enoate (CID 173302819) is 1-[chloro(dimethyl)silyl]prop-1-enyl prop-2-enoate.
What is the SMILES notation for 1-[chloro(dimethyl)silyl]prop-1-enyl prop-2-enoate?
The canonical SMILES for 1-[chloro(dimethyl)silyl]prop-1-enyl prop-2-enoate is C=CC(=O)OC(=CC)[Si](C)(C)Cl.
What is the InChIKey of 1-[chloro(dimethyl)silyl]prop-1-enyl prop-2-enoate?
The InChIKey is SZIBSHBQSZDTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO2Si/c1-5-7(10)11-8(6-2)12(3,4)9/h5-6H,1H2,2-4H3.
What are the key properties of 1-[chloro(dimethyl)silyl]prop-1-enyl prop-2-enoate?
1-[chloro(dimethyl)silyl]prop-1-enyl prop-2-enoate has a molecular weight of 204.73 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(dimethyl)silyl]prop-1-enyl prop-2-enoate is sourced from PubChem (CID 173302819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).