5-bromo-2-(2-trimethylsilylethyl)pentanoic acid

C10H21BrO2Si — CID 90845245

IUPAC5-bromo-2-(2-trimethylsilylethyl)pentanoic acid
SMILESC[Si](C)(C)CCC(CCCBr)C(=O)O
InChIInChI=1S/C10H21BrO2Si/c1-14(2,3)8-6-9(10(12)13)5-4-7-11/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyKYMPNDDEBPMQJK-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.59
Rot. Bonds7

About 5-bromo-2-(2-trimethylsilylethyl)pentanoic acid

5-bromo-2-(2-trimethylsilylethyl)pentanoic acid (PubChem CID 90845245) has the molecular formula C10H21BrO2Si and a molecular weight of 281.27 g/mol. Its IUPAC name is 5-bromo-2-(2-trimethylsilylethyl)pentanoic acid.

Molecular Properties

Compound Name5-bromo-2-(2-trimethylsilylethyl)pentanoic acid
PubChem CID90845245
Molecular FormulaC10H21BrO2Si
Molecular Weight281.27 g/mol
Exact Mass280.05
IUPAC Name5-bromo-2-(2-trimethylsilylethyl)pentanoic acid
SMILESC[Si](C)(C)CCC(CCCBr)C(=O)O
InChIInChI=1S/C10H21BrO2Si/c1-14(2,3)8-6-9(10(12)13)5-4-7-11/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyKYMPNDDEBPMQJK-UHFFFAOYSA-N
XLogP3.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-trimethylsilylethyl)heptanedioic acid
CID 172786618
CID 87702087
CID 87702087
6-bromo-2,3-dimethylhexanoic acid
CID 18942136
2-nonylpentadecanoic acid
CID 139605044
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
2-hexylpentacosanoic acid
CID 158257677
(2S)-2-heptyldecanoic acid
CID 171991627
2-dodecyloctacosanoic acid
CID 90897371
azane;2,7-dibutyloctanedioic acid
CID 174821009

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-trimethylsilylethyl)pentanoic acid?
The IUPAC name of 5-bromo-2-(2-trimethylsilylethyl)pentanoic acid (CID 90845245) is 5-bromo-2-(2-trimethylsilylethyl)pentanoic acid.
What is the SMILES notation for 5-bromo-2-(2-trimethylsilylethyl)pentanoic acid?
The canonical SMILES for 5-bromo-2-(2-trimethylsilylethyl)pentanoic acid is C[Si](C)(C)CCC(CCCBr)C(=O)O.
What is the InChIKey of 5-bromo-2-(2-trimethylsilylethyl)pentanoic acid?
The InChIKey is KYMPNDDEBPMQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrO2Si/c1-14(2,3)8-6-9(10(12)13)5-4-7-11/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 5-bromo-2-(2-trimethylsilylethyl)pentanoic acid?
5-bromo-2-(2-trimethylsilylethyl)pentanoic acid has a molecular weight of 281.27 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-trimethylsilylethyl)pentanoic acid is sourced from PubChem (CID 90845245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).