3-[tert-butyl(dimethyl)silyl]-4-methylpentanoic acid

C12H26O2Si — CID 141142277

IUPAC3-[tert-butyl(dimethyl)silyl]-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-9(2)10(8-11(13)14)15(6,7)12(3,4)5/h9-10H,8H2,1-7H3,(H,13,14)
InChIKeyOCPASUNABDTBPL-UHFFFAOYSA-N
MW230.42 g/mol
LogP4.00
Rot. Bonds4

About 3-[tert-butyl(dimethyl)silyl]-4-methylpentanoic acid

3-[tert-butyl(dimethyl)silyl]-4-methylpentanoic acid (PubChem CID 141142277) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]-4-methylpentanoic acid
PubChem CID141142277
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Name3-[tert-butyl(dimethyl)silyl]-4-methylpentanoic acid
SMILESCC(C)C(CC(=O)O)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-9(2)10(8-11(13)14)15(6,7)12(3,4)5/h9-10H,8H2,1-7H3,(H,13,14)
InChIKeyOCPASUNABDTBPL-UHFFFAOYSA-N
XLogP4.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[tert-butyl(dimethyl)silyl]pentanedioic acid
CID 174743819
3-chloro-4,4-dimethylpentanoic acid
CID 87203754
3-bromo-4,4-dimethylpentanoic acid
CID 22471981
4,4-dimethyl-3-(2-oxoethyl)pentanoic acid
CID 174460032
4-amino-3,5,5-trimethylhexanoic acid
CID 116938121
3-methylbutanoic acid
CID 20849036
2-[[tert-butyl(dimethyl)silyl]-chloroamino]acetic acid
CID 86038791
3-amino-4,4-dimethylpentanoic acid;hydrochloride
CID 89306426
4,4-dimethyl-3-(methylsulfonyloxymethyl)pentanoic acid
CID 166747011
3-(2,3,3-trimethylbutanoylamino)butanoic acid
CID 119347954
4-(dimethylamino)-3,5,5-trimethylhexanoic acid
CID 116908129
3,4-bis(trimethylsilyloxy)pentanoic acid
CID 87303554

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]-4-methylpentanoic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]-4-methylpentanoic acid (CID 141142277) is 3-[tert-butyl(dimethyl)silyl]-4-methylpentanoic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]-4-methylpentanoic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]-4-methylpentanoic acid is CC(C)C(CC(=O)O)[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]-4-methylpentanoic acid?
The InChIKey is OCPASUNABDTBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-9(2)10(8-11(13)14)15(6,7)12(3,4)5/h9-10H,8H2,1-7H3,(H,13,14).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]-4-methylpentanoic acid?
3-[tert-butyl(dimethyl)silyl]-4-methylpentanoic acid has a molecular weight of 230.42 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]-4-methylpentanoic acid is sourced from PubChem (CID 141142277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).