methyl 4-[hydroxy(dimethyl)silyl]-2,4-dimethylpentanoate

C10H22O3Si — CID 89164564

IUPACmethyl 4-[hydroxy(dimethyl)silyl]-2,4-dimethylpentanoate
SMILESCOC(=O)C(C)CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C10H22O3Si/c1-8(9(11)13-4)7-10(2,3)14(5,6)12/h8,12H,7H2,1-6H3
InChIKeyMSERNYGJNMDINH-UHFFFAOYSA-N
MW218.37 g/mol
LogP2.16
Rot. Bonds4

About methyl 4-[hydroxy(dimethyl)silyl]-2,4-dimethylpentanoate

methyl 4-[hydroxy(dimethyl)silyl]-2,4-dimethylpentanoate (PubChem CID 89164564) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is methyl 4-[hydroxy(dimethyl)silyl]-2,4-dimethylpentanoate.

Molecular Properties

Compound Namemethyl 4-[hydroxy(dimethyl)silyl]-2,4-dimethylpentanoate
PubChem CID89164564
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Namemethyl 4-[hydroxy(dimethyl)silyl]-2,4-dimethylpentanoate
SMILESCOC(=O)C(C)CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C10H22O3Si/c1-8(9(11)13-4)7-10(2,3)14(5,6)12/h8,12H,7H2,1-6H3
InChIKeyMSERNYGJNMDINH-UHFFFAOYSA-N
XLogP2.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.16
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)-4-[hydroxy(dimethyl)silyl]-2,4-dimethylpentanoate
CID 87688849
methyl (2S)-2,4,4-trimethylpentanoate
CID 87851935
methyl 4-methoxy-2,4-dimethylpentanoate
CID 22982800
methyl (2R)-4,4,4-trichloro-2-methylbutanoate
CID 6932681
dimethyl 2,2-dimethoxy-4-methylpentanedioate
CID 11379303
methyl (2S)-3-bromo-2-methylpropanoate;zinc
CID 158954995
zinc methyl (2R)-3-bromo-2-methylpropanoate
CID 175736425
methyl 2-methylbutanoate;1,1,1-trifluoroethane
CID 91439197
methyl 3-[methoxy(dimethyl)silyl]-2-methylpropanoate
CID 58989046
methyl (2S)-2-hydroxy-3-[3-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]azetidin-1-yl]propanoate
CID 66827034
methyl 4,4,5,5,6,6,7,7,7-nonafluoro-2-methylheptanoate
CID 155658022
methyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-pentadecafluoro-2-methyldecanoate
CID 155658119

Frequently Asked Questions

What is the IUPAC name of methyl 4-[hydroxy(dimethyl)silyl]-2,4-dimethylpentanoate?
The IUPAC name of methyl 4-[hydroxy(dimethyl)silyl]-2,4-dimethylpentanoate (CID 89164564) is methyl 4-[hydroxy(dimethyl)silyl]-2,4-dimethylpentanoate.
What is the SMILES notation for methyl 4-[hydroxy(dimethyl)silyl]-2,4-dimethylpentanoate?
The canonical SMILES for methyl 4-[hydroxy(dimethyl)silyl]-2,4-dimethylpentanoate is COC(=O)C(C)CC(C)(C)[Si](C)(C)O.
What is the InChIKey of methyl 4-[hydroxy(dimethyl)silyl]-2,4-dimethylpentanoate?
The InChIKey is MSERNYGJNMDINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3Si/c1-8(9(11)13-4)7-10(2,3)14(5,6)12/h8,12H,7H2,1-6H3.
What are the key properties of methyl 4-[hydroxy(dimethyl)silyl]-2,4-dimethylpentanoate?
methyl 4-[hydroxy(dimethyl)silyl]-2,4-dimethylpentanoate has a molecular weight of 218.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[hydroxy(dimethyl)silyl]-2,4-dimethylpentanoate is sourced from PubChem (CID 89164564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).