chloro(dimethyl)silane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate

C18H34Cl2O4Si2 — CID 159014537

IUPACchloro(dimethyl)silane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](C)(C)Cl.C=CCOC(=O)C(=C)C.C[SiH](C)Cl
InChIInChI=1S/C9H17ClO2Si.C7H10O2.C2H7ClSi/c1-8(2)9(11)12-6-5-7-13(3,4)10;1-4-5-9-7(8)6(2)3;1-4(2)3/h1,5-7H2,2-4H3;4H,1-2,5H2,3H3;4H,1-2H3
InChIKeyJSXOVIRBEROVCW-UHFFFAOYSA-N
MW441.54 g/mol
LogP5.44
Rot. Bonds8

About chloro(dimethyl)silane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate

chloro(dimethyl)silane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate (PubChem CID 159014537) has the molecular formula C18H34Cl2O4Si2 and a molecular weight of 441.54 g/mol. Its IUPAC name is chloro(dimethyl)silane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namechloro(dimethyl)silane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate
PubChem CID159014537
Molecular FormulaC18H34Cl2O4Si2
Molecular Weight441.54 g/mol
Exact Mass440.14
IUPAC Namechloro(dimethyl)silane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC[Si](C)(C)Cl.C=CCOC(=O)C(=C)C.C[SiH](C)Cl
InChIInChI=1S/C9H17ClO2Si.C7H10O2.C2H7ClSi/c1-8(2)9(11)12-6-5-7-13(3,4)10;1-4-5-9-7(8)6(2)3;1-4(2)3/h1,5-7H2,2-4H3;4H,1-2,5H2,3H3;4H,1-2H3
InChIKeyJSXOVIRBEROVCW-UHFFFAOYSA-N
XLogP5.44
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.54
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[diethyl(prop-2-enyl)silyl]propyl 2-methylprop-2-enoate
CID 167321922
3-[hydroxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 11009006
CID 19429806
CID 19429806
4-[dichloro-[4-(2-methylprop-2-enoyloxy)butyl]silyl]butyl 2-methylprop-2-enoate
CID 139796033
3-[2-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxyethoxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 156628189
2-[hydroxy(dimethyl)silyl]ethyl 2-methylprop-2-enoate;3-[hydroxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 175909002
14-trichlorosilyltetradecyl 2-methylprop-2-enoate
CID 156681386
17-trichlorosilylheptadecyl 2-methylprop-2-enoate
CID 156681417
2-prop-2-enoxycarbonyloxyethyl 2-methylprop-2-enoate
CID 88775356
3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;3-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;[3-hydroxy-5,7,9,11,13,15-hexakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy-trimethylsilane
CID 157156303
3-[bis[[ethenyl(dimethyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate
CID 22325845
chloro(dimethyl)silane;prop-2-enyl 2-bromo-2-methylpropanoate;3-trimethylsilylpropyl 2-bromo-2-methylpropanoate
CID 160691888

Frequently Asked Questions

What is the IUPAC name of chloro(dimethyl)silane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate?
The IUPAC name of chloro(dimethyl)silane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate (CID 159014537) is chloro(dimethyl)silane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate.
What is the SMILES notation for chloro(dimethyl)silane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate?
The canonical SMILES for chloro(dimethyl)silane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC[Si](C)(C)Cl.C=CCOC(=O)C(=C)C.C[SiH](C)Cl.
What is the InChIKey of chloro(dimethyl)silane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate?
The InChIKey is JSXOVIRBEROVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO2Si.C7H10O2.C2H7ClSi/c1-8(2)9(11)12-6-5-7-13(3,4)10;1-4-5-9-7(8)6(2)3;1-4(2)3/h1,5-7H2,2-4H3;4H,1-2,5H2,3H3;4H,1-2H3.
What are the key properties of chloro(dimethyl)silane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate?
chloro(dimethyl)silane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate has a molecular weight of 441.54 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(dimethyl)silane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 159014537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).