silyl 2-hydroxy-3-methylpentanoate

C6H14O3Si — CID 174467796

IUPACsilyl 2-hydroxy-3-methylpentanoate
SMILESCCC(C)C(O)C(=O)O[SiH3]
InChIInChI=1S/C6H14O3Si/c1-3-4(2)5(7)6(8)9-10/h4-5,7H,3H2,1-2,10H3
InChIKeyVPVYFVRFNBDGRD-UHFFFAOYSA-N
MW162.26 g/mol
LogP-0.78
Rot. Bonds3

About silyl 2-hydroxy-3-methylpentanoate

silyl 2-hydroxy-3-methylpentanoate (PubChem CID 174467796) has the molecular formula C6H14O3Si and a molecular weight of 162.26 g/mol. Its IUPAC name is silyl 2-hydroxy-3-methylpentanoate.

Molecular Properties

Compound Namesilyl 2-hydroxy-3-methylpentanoate
PubChem CID174467796
Molecular FormulaC6H14O3Si
Molecular Weight162.26 g/mol
Exact Mass162.07
IUPAC Namesilyl 2-hydroxy-3-methylpentanoate
SMILESCCC(C)C(O)C(=O)O[SiH3]
InChIInChI=1S/C6H14O3Si/c1-3-4(2)5(7)6(8)9-10/h4-5,7H,3H2,1-2,10H3
InChIKeyVPVYFVRFNBDGRD-UHFFFAOYSA-N
XLogP-0.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,3R)-2-hydroxy-3-methylpentanoate
CID 13262415
methyl (2R,3R)-2-hydroxy-3-methylpentanoate
CID 13262413
propan-2-yl (3R)-2-hydroxy-3-methylpentanoate
CID 174795059
2-(2-hydroxy-3-methylpentanoyl)oxy-3-methylbutanoic acid
CID 57022822
2-hydroxy-3-methyl-N-propan-2-ylpentanamide
CID 59882624
silyl 2-hydroxy-2-methylsulfanylacetate
CID 174454152
methyl 3-hydroxy-4-methyl-2-propan-2-ylhexanoate
CID 62397567
(2R,3S,4S)-2-hydroxy-3,4-dimethylhexanoic acid
CID 89397021
silyl 2-propylpentanoate
CID 123713518
ethyl (2S,3S)-3-hydroxy-2-methylpentanoate
CID 11051949
methyl (2S,3S)-3-methyl-2-propan-2-ylpentanoate
CID 59686053
ethyl 2-hydroxybutanoate
CID 521365

Frequently Asked Questions

What is the IUPAC name of silyl 2-hydroxy-3-methylpentanoate?
The IUPAC name of silyl 2-hydroxy-3-methylpentanoate (CID 174467796) is silyl 2-hydroxy-3-methylpentanoate.
What is the SMILES notation for silyl 2-hydroxy-3-methylpentanoate?
The canonical SMILES for silyl 2-hydroxy-3-methylpentanoate is CCC(C)C(O)C(=O)O[SiH3].
What is the InChIKey of silyl 2-hydroxy-3-methylpentanoate?
The InChIKey is VPVYFVRFNBDGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3Si/c1-3-4(2)5(7)6(8)9-10/h4-5,7H,3H2,1-2,10H3.
What are the key properties of silyl 2-hydroxy-3-methylpentanoate?
silyl 2-hydroxy-3-methylpentanoate has a molecular weight of 162.26 g/mol, XLogP of -0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 2-hydroxy-3-methylpentanoate is sourced from PubChem (CID 174467796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).