3-[hydroxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate

C9H19BrO3Si — CID 139211567

IUPAC3-[hydroxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate
SMILESCC(C)(Br)C(=O)OCCC[Si](C)(C)O
InChIInChI=1S/C9H19BrO3Si/c1-9(2,10)8(11)13-6-5-7-14(3,4)12/h12H,5-7H2,1-4H3
InChIKeyDXUHHTWHJFUPRC-UHFFFAOYSA-N
MW283.24 g/mol
LogP2.29
Rot. Bonds5

About 3-[hydroxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate

3-[hydroxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate (PubChem CID 139211567) has the molecular formula C9H19BrO3Si and a molecular weight of 283.24 g/mol. Its IUPAC name is 3-[hydroxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate.

Molecular Properties

Compound Name3-[hydroxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate
PubChem CID139211567
Molecular FormulaC9H19BrO3Si
Molecular Weight283.24 g/mol
Exact Mass282.03
IUPAC Name3-[hydroxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate
SMILESCC(C)(Br)C(=O)OCCC[Si](C)(C)O
InChIInChI=1S/C9H19BrO3Si/c1-9(2,10)8(11)13-6-5-7-14(3,4)12/h12H,5-7H2,1-4H3
InChIKeyDXUHHTWHJFUPRC-UHFFFAOYSA-N
XLogP2.29
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

3-[methoxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate
CID 59476731
3-[hydroxy(dimethyl)silyl]propyl acetate
CID 71325011
undecyl 2-bromo-2-methylpropanoate
CID 87551125
octadecyl 2-bromo-2-methylpropanoate
CID 71310893
4-triethoxysilylbutyl 2-bromo-2-methylpropanoate
CID 71424824
chloro(dimethyl)silane;prop-2-enyl 2-bromo-2-methylpropanoate;3-trimethylsilylpropyl 2-bromo-2-methylpropanoate
CID 160691888
2-[3,5-bis[2-(2-bromo-2-methylpropanoyl)oxyethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl 2-bromo-2-methylpropanoate
CID 101380738
CID 175569451
CID 175569451
3-[hydroxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 11009006
3-[dimethylsilyloxy-[[dimethyl(trimethylsilyloxy)silyl]methoxy]-methylsilyl]propyl 2-bromo-2-methylpropanoate
CID 158260593
3-(3,5,7,9,11,13,15-heptamethyl-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)propyl 2-bromo-2-methylpropanoate
CID 59168998
2-[2-(2-bromo-2-methylpropanoyl)oxyethylsulfanyl]ethyl 2-bromo-2-methylpropanoate
CID 102204004

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate?
The IUPAC name of 3-[hydroxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate (CID 139211567) is 3-[hydroxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate.
What is the SMILES notation for 3-[hydroxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate?
The canonical SMILES for 3-[hydroxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate is CC(C)(Br)C(=O)OCCC[Si](C)(C)O.
What is the InChIKey of 3-[hydroxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate?
The InChIKey is DXUHHTWHJFUPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BrO3Si/c1-9(2,10)8(11)13-6-5-7-14(3,4)12/h12H,5-7H2,1-4H3.
What are the key properties of 3-[hydroxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate?
3-[hydroxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate has a molecular weight of 283.24 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(dimethyl)silyl]propyl 2-bromo-2-methylpropanoate is sourced from PubChem (CID 139211567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).