2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoic acid

C12H26O3Si — CID 142800885

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoic acid
SMILESCCCC(CO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H26O3Si/c1-7-8-10(11(13)14)9-15-16(5,6)12(2,3)4/h10H,7-9H2,1-6H3,(H,13,14)
InChIKeyOQMURZCSDKRNPL-UHFFFAOYSA-N
MW246.42 g/mol
LogP3.51
Rot. Bonds6

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoic acid

2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoic acid (PubChem CID 142800885) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoic acid.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoic acid
PubChem CID142800885
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoic acid
SMILESCCCC(CO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H26O3Si/c1-7-8-10(11(13)14)9-15-16(5,6)12(2,3)4/h10H,7-9H2,1-6H3,(H,13,14)
InChIKeyOQMURZCSDKRNPL-UHFFFAOYSA-N
XLogP3.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 10868598
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5,5,5-trifluoropentanoic acid
CID 142800887
Trimethylsilyl 2-methyl-3-[(trimethylsilyl)oxy]pentanoate
CID 528643
2-Methylbutanoic acid, 3-(t-butyldimethylsilyloxy)-
CID 554647
methyl (2R,3R)-2-methyl-3-triethylsilyloxypentanoate
CID 16731925
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoic acid
CID 135023452
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoic acid
CID 155931801
2-Methyl-3-hydroxyvaleric acid, diTMS (1)
CID 91747802
2-Methyl-3-hydroxyvaleric acid, diTMS (2)
CID 91747803
Trimethylsilyl 2,4-dimethyl-3-trimethylsilyloxypentanoate
CID 553014
3-Trimethylsilyloxyisocaproic acid, trimethylsilyl ester
CID 553115
Pentanoic acid, 4-methyl-3-(t-butyldimethylsilyloxy)-, methyl ester
CID 608938

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoic acid?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoic acid (CID 142800885) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoic acid.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoic acid?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoic acid is CCCC(CO[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoic acid?
The InChIKey is OQMURZCSDKRNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-7-8-10(11(13)14)9-15-16(5,6)12(2,3)4/h10H,7-9H2,1-6H3,(H,13,14).
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoic acid?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoic acid has a molecular weight of 246.42 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoic acid is sourced from PubChem (CID 142800885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).