chloro(dimethyl)silane;prop-2-enyl 2-bromo-2-methylpropanoate;3-trimethylsilylpropyl 2-bromo-2-methylpropanoate

C19H39Br2ClO4Si2 — CID 160691888

IUPACchloro(dimethyl)silane;prop-2-enyl 2-bromo-2-methylpropanoate;3-trimethylsilylpropyl 2-bromo-2-methylpropanoate
SMILESC=CCOC(=O)C(C)(C)Br.CC(C)(Br)C(=O)OCCC[Si](C)(C)C.C[SiH](C)Cl
InChIInChI=1S/C10H21BrO2Si.C7H11BrO2.C2H7ClSi/c1-10(2,11)9(12)13-7-6-8-14(3,4)5;1-4-5-10-6(9)7(2,3)8;1-4(2)3/h6-8H2,1-5H3;4H,1,5H2,2-3H3;4H,1-2H3
InChIKeyRPMWXYKDYYPKGR-UHFFFAOYSA-N
MW582.95 g/mol
LogP6.53
Rot. Bonds8

About chloro(dimethyl)silane;prop-2-enyl 2-bromo-2-methylpropanoate;3-trimethylsilylpropyl 2-bromo-2-methylpropanoate

chloro(dimethyl)silane;prop-2-enyl 2-bromo-2-methylpropanoate;3-trimethylsilylpropyl 2-bromo-2-methylpropanoate (PubChem CID 160691888) has the molecular formula C19H39Br2ClO4Si2 and a molecular weight of 582.95 g/mol. Its IUPAC name is chloro(dimethyl)silane;prop-2-enyl 2-bromo-2-methylpropanoate;3-trimethylsilylpropyl 2-bromo-2-methylpropanoate.

Molecular Properties

Compound Namechloro(dimethyl)silane;prop-2-enyl 2-bromo-2-methylpropanoate;3-trimethylsilylpropyl 2-bromo-2-methylpropanoate
PubChem CID160691888
Molecular FormulaC19H39Br2ClO4Si2
Molecular Weight582.95 g/mol
Exact Mass580.04
IUPAC Namechloro(dimethyl)silane;prop-2-enyl 2-bromo-2-methylpropanoate;3-trimethylsilylpropyl 2-bromo-2-methylpropanoate
SMILESC=CCOC(=O)C(C)(C)Br.CC(C)(Br)C(=O)OCCC[Si](C)(C)C.C[SiH](C)Cl
InChIInChI=1S/C10H21BrO2Si.C7H11BrO2.C2H7ClSi/c1-10(2,11)9(12)13-7-6-8-14(3,4)5;1-4-5-10-6(9)7(2,3)8;1-4(2)3/h6-8H2,1-5H3;4H,1,5H2,2-3H3;4H,1-2H3
InChIKeyRPMWXYKDYYPKGR-UHFFFAOYSA-N
XLogP6.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.95
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[hydroxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate
CID 139211567
3-[methoxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate
CID 59476731
undec-10-enyl 2-bromo-2-methylpropanoate
CID 23113089
chloro(dimethyl)silane;3-[chloro(dimethyl)silyl]propyl 2-methylprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate
CID 159014537
prop-2-enyl 2-chloro-2-methylpropanoate
CID 21285838
3-trimethylsilylpropyl 2,4-dimethyl-2-propan-2-ylpent-3-enoate
CID 89023482
3-[dimethylsilyloxy-[[dimethyl(trimethylsilyloxy)silyl]methoxy]-methylsilyl]propyl 2-bromo-2-methylpropanoate
CID 158260593
prop-2-enyl 2,2-dibromobutanoate
CID 88675636
undecyl 2-bromo-2-methylpropanoate
CID 87551125
octadecyl 2-bromo-2-methylpropanoate
CID 71310893
pent-4-enyl 2-[(2-bromo-2-methylpropanoyl)oxymethyl]-3-methoxy-2-methylpropanoate
CID 146636468
4-triethoxysilylbutyl 2-bromo-2-methylpropanoate
CID 71424824

Frequently Asked Questions

What is the IUPAC name of chloro(dimethyl)silane;prop-2-enyl 2-bromo-2-methylpropanoate;3-trimethylsilylpropyl 2-bromo-2-methylpropanoate?
The IUPAC name of chloro(dimethyl)silane;prop-2-enyl 2-bromo-2-methylpropanoate;3-trimethylsilylpropyl 2-bromo-2-methylpropanoate (CID 160691888) is chloro(dimethyl)silane;prop-2-enyl 2-bromo-2-methylpropanoate;3-trimethylsilylpropyl 2-bromo-2-methylpropanoate.
What is the SMILES notation for chloro(dimethyl)silane;prop-2-enyl 2-bromo-2-methylpropanoate;3-trimethylsilylpropyl 2-bromo-2-methylpropanoate?
The canonical SMILES for chloro(dimethyl)silane;prop-2-enyl 2-bromo-2-methylpropanoate;3-trimethylsilylpropyl 2-bromo-2-methylpropanoate is C=CCOC(=O)C(C)(C)Br.CC(C)(Br)C(=O)OCCC[Si](C)(C)C.C[SiH](C)Cl.
What is the InChIKey of chloro(dimethyl)silane;prop-2-enyl 2-bromo-2-methylpropanoate;3-trimethylsilylpropyl 2-bromo-2-methylpropanoate?
The InChIKey is RPMWXYKDYYPKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrO2Si.C7H11BrO2.C2H7ClSi/c1-10(2,11)9(12)13-7-6-8-14(3,4)5;1-4-5-10-6(9)7(2,3)8;1-4(2)3/h6-8H2,1-5H3;4H,1,5H2,2-3H3;4H,1-2H3.
What are the key properties of chloro(dimethyl)silane;prop-2-enyl 2-bromo-2-methylpropanoate;3-trimethylsilylpropyl 2-bromo-2-methylpropanoate?
chloro(dimethyl)silane;prop-2-enyl 2-bromo-2-methylpropanoate;3-trimethylsilylpropyl 2-bromo-2-methylpropanoate has a molecular weight of 582.95 g/mol, XLogP of 6.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(dimethyl)silane;prop-2-enyl 2-bromo-2-methylpropanoate;3-trimethylsilylpropyl 2-bromo-2-methylpropanoate is sourced from PubChem (CID 160691888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).