2-bromopropan-2-yl 4-methoxysilylbutanoate

C8H17BrO3Si — CID 174147608

IUPAC2-bromopropan-2-yl 4-methoxysilylbutanoate
SMILESCO[SiH2]CCCC(=O)OC(C)(C)Br
InChIInChI=1S/C8H17BrO3Si/c1-8(2,9)12-7(10)5-4-6-13-11-3/h4-6,13H2,1-3H3
InChIKeySTQHNQPMBXZSJC-UHFFFAOYSA-N
MW269.21 g/mol
LogP1.59
Rot. Bonds6

About 2-bromopropan-2-yl 4-methoxysilylbutanoate

2-bromopropan-2-yl 4-methoxysilylbutanoate (PubChem CID 174147608) has the molecular formula C8H17BrO3Si and a molecular weight of 269.21 g/mol. Its IUPAC name is 2-bromopropan-2-yl 4-methoxysilylbutanoate.

Molecular Properties

Compound Name2-bromopropan-2-yl 4-methoxysilylbutanoate
PubChem CID174147608
Molecular FormulaC8H17BrO3Si
Molecular Weight269.21 g/mol
Exact Mass268.01
IUPAC Name2-bromopropan-2-yl 4-methoxysilylbutanoate
SMILESCO[SiH2]CCCC(=O)OC(C)(C)Br
InChIInChI=1S/C8H17BrO3Si/c1-8(2,9)12-7(10)5-4-6-13-11-3/h4-6,13H2,1-3H3
InChIKeySTQHNQPMBXZSJC-UHFFFAOYSA-N
XLogP1.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
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'}

Analyze 2-bromopropan-2-yl 4-methoxysilylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 11-methoxysilylundecanoate
CID 123472128
ditert-butyl pentanedioate
CID 3016405
tert-butyl 12-chlorododecanoate
CID 155893322
tert-butyl 18-chlorooctadecanoate
CID 155896070
bis(3-methylpentan-3-yl) hexanedioate
CID 141267007
CID 89305747
CID 89305747
methyl 4-[6-[(2-methylpropan-2-yl)oxy]-6-oxohexoxy]benzoate
CID 158222033
tert-butyl 6-oxotetradecanoate
CID 134901927
bis(1,1-diethoxyethyl) pentanedioate
CID 20572027
tert-butyl 16-hydroxyhexadecanoate
CID 118542708
tert-butyl octacosanoate
CID 174872722
tert-butyl 7-amino-7-oxoheptanoate
CID 88902812

Frequently Asked Questions

What is the IUPAC name of 2-bromopropan-2-yl 4-methoxysilylbutanoate?
The IUPAC name of 2-bromopropan-2-yl 4-methoxysilylbutanoate (CID 174147608) is 2-bromopropan-2-yl 4-methoxysilylbutanoate.
What is the SMILES notation for 2-bromopropan-2-yl 4-methoxysilylbutanoate?
The canonical SMILES for 2-bromopropan-2-yl 4-methoxysilylbutanoate is CO[SiH2]CCCC(=O)OC(C)(C)Br.
What is the InChIKey of 2-bromopropan-2-yl 4-methoxysilylbutanoate?
The InChIKey is STQHNQPMBXZSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17BrO3Si/c1-8(2,9)12-7(10)5-4-6-13-11-3/h4-6,13H2,1-3H3.
What are the key properties of 2-bromopropan-2-yl 4-methoxysilylbutanoate?
2-bromopropan-2-yl 4-methoxysilylbutanoate has a molecular weight of 269.21 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopropan-2-yl 4-methoxysilylbutanoate is sourced from PubChem (CID 174147608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).