2-methyl-3-methylsilyloxypentanoic acid

C7H16O3Si — CID 123144884

IUPAC2-methyl-3-methylsilyloxypentanoic acid
SMILESCCC(O[SiH2]C)C(C)C(=O)O
InChIInChI=1S/C7H16O3Si/c1-4-6(10-11-3)5(2)7(8)9/h5-6H,4,11H2,1-3H3,(H,8,9)
InChIKeyGHMXHSOARSWOPE-UHFFFAOYSA-N
MW176.29 g/mol
LogP0.63
Rot. Bonds5

About 2-methyl-3-methylsilyloxypentanoic acid

2-methyl-3-methylsilyloxypentanoic acid (PubChem CID 123144884) has the molecular formula C7H16O3Si and a molecular weight of 176.29 g/mol. Its IUPAC name is 2-methyl-3-methylsilyloxypentanoic acid.

Molecular Properties

Compound Name2-methyl-3-methylsilyloxypentanoic acid
PubChem CID123144884
Molecular FormulaC7H16O3Si
Molecular Weight176.29 g/mol
Exact Mass176.09
IUPAC Name2-methyl-3-methylsilyloxypentanoic acid
SMILESCCC(O[SiH2]C)C(C)C(=O)O
InChIInChI=1S/C7H16O3Si/c1-4-6(10-11-3)5(2)7(8)9/h5-6H,4,11H2,1-3H3,(H,8,9)
InChIKeyGHMXHSOARSWOPE-UHFFFAOYSA-N
XLogP0.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.29
LogP ≤ 50.63
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,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 100971723
2-(1-acetyloxypropyl)-3-methylbutanedioic acid
CID 58640823
2-[(2R)-butan-2-yl]propanedioic acid
CID 51381327
(3R)-4-ethoxy-2,3-dimethyl-4-oxobutanoic acid
CID 150582435
2-methyl-3-tri(propan-2-yl)silyloxyhexanoic acid
CID 76530796
3-carboxy-4-methoxy-2-methylhexanoate
CID 20750462
4-chloro-2-methyl-3-trimethylsilyloxybutanoic acid
CID 57318038
4-ethyl-3,5-dihydroxy-2-methylhexanoic acid
CID 23094284
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2R,3S)-3-methyl-2-sulfanylpentanoic acid
CID 55302342
(2S,4S)-2,4-bis[(2S)-butan-2-yl]pentanedioic acid
CID 15070778
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsilyloxypentanoic acid?
The IUPAC name of 2-methyl-3-methylsilyloxypentanoic acid (CID 123144884) is 2-methyl-3-methylsilyloxypentanoic acid.
What is the SMILES notation for 2-methyl-3-methylsilyloxypentanoic acid?
The canonical SMILES for 2-methyl-3-methylsilyloxypentanoic acid is CCC(O[SiH2]C)C(C)C(=O)O.
What is the InChIKey of 2-methyl-3-methylsilyloxypentanoic acid?
The InChIKey is GHMXHSOARSWOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3Si/c1-4-6(10-11-3)5(2)7(8)9/h5-6H,4,11H2,1-3H3,(H,8,9).
What are the key properties of 2-methyl-3-methylsilyloxypentanoic acid?
2-methyl-3-methylsilyloxypentanoic acid has a molecular weight of 176.29 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsilyloxypentanoic acid is sourced from PubChem (CID 123144884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).