methyl (5R)-5-hydroxy-5-trimethylsilylpentanoate

C9H20O3Si — CID 88576652

IUPACmethyl (5R)-5-hydroxy-5-trimethylsilylpentanoate
SMILESCOC(=O)CCC[C@H](O)[Si](C)(C)C
InChIInChI=1S/C9H20O3Si/c1-12-8(10)6-5-7-9(11)13(2,3)4/h9,11H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyQRGASIQCNPSSKH-SECBINFHSA-N
MW204.34 g/mol
LogP1.57
Rot. Bonds5

About methyl (5R)-5-hydroxy-5-trimethylsilylpentanoate

methyl (5R)-5-hydroxy-5-trimethylsilylpentanoate (PubChem CID 88576652) has the molecular formula C9H20O3Si and a molecular weight of 204.34 g/mol. Its IUPAC name is methyl (5R)-5-hydroxy-5-trimethylsilylpentanoate.

Molecular Properties

Compound Namemethyl (5R)-5-hydroxy-5-trimethylsilylpentanoate
PubChem CID88576652
Molecular FormulaC9H20O3Si
Molecular Weight204.34 g/mol
Exact Mass204.12
IUPAC Namemethyl (5R)-5-hydroxy-5-trimethylsilylpentanoate
SMILESCOC(=O)CCC[C@H](O)[Si](C)(C)C
InChIInChI=1S/C9H20O3Si/c1-12-8(10)6-5-7-9(11)13(2,3)4/h9,11H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyQRGASIQCNPSSKH-SECBINFHSA-N
XLogP1.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 51.57
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

dimethyl 2-hydroxyhexanedioate
CID 13448463
methyl 5,7-dihydroxyheptanoate
CID 123290947
methyl 18,18-dihydroxyoctadecanoate
CID 151355235
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
methyl (7R)-7-hydroxyoctanoate
CID 13111883
methyl (5S,6R)-5,6-dimethyloctanoate
CID 59216932
methyl 9-hydroxydecanoate
CID 530430

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-5-hydroxy-5-trimethylsilylpentanoate?
The IUPAC name of methyl (5R)-5-hydroxy-5-trimethylsilylpentanoate (CID 88576652) is methyl (5R)-5-hydroxy-5-trimethylsilylpentanoate.
What is the SMILES notation for methyl (5R)-5-hydroxy-5-trimethylsilylpentanoate?
The canonical SMILES for methyl (5R)-5-hydroxy-5-trimethylsilylpentanoate is COC(=O)CCC[C@H](O)[Si](C)(C)C.
What is the InChIKey of methyl (5R)-5-hydroxy-5-trimethylsilylpentanoate?
The InChIKey is QRGASIQCNPSSKH-SECBINFHSA-N. The full InChI is InChI=1S/C9H20O3Si/c1-12-8(10)6-5-7-9(11)13(2,3)4/h9,11H,5-7H2,1-4H3/t9-/m1/s1.
What are the key properties of methyl (5R)-5-hydroxy-5-trimethylsilylpentanoate?
methyl (5R)-5-hydroxy-5-trimethylsilylpentanoate has a molecular weight of 204.34 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-5-hydroxy-5-trimethylsilylpentanoate is sourced from PubChem (CID 88576652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).