2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate

C15H32O4Si — CID 10662325

IUPAC2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate
SMILESCC(C)COC(=O)C[C@H](CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O4Si/c1-12(2)11-18-14(17)10-13(8-9-16)19-20(6,7)15(3,4)5/h12-13,16H,8-11H2,1-7H3/t13-/m0/s1
InChIKeyGPMCRPNEHHFPGQ-ZDUSSCGKSA-N
MW304.50 g/mol
LogP3.35
Rot. Bonds8

About 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate

2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate (PubChem CID 10662325) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate.

Molecular Properties

Compound Name2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate
PubChem CID10662325
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate
SMILESCC(C)COC(=O)C[C@H](CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O4Si/c1-12(2)11-18-14(17)10-13(8-9-16)19-20(6,7)15(3,4)5/h12-13,16H,8-11H2,1-7H3/t13-/m0/s1
InChIKeyGPMCRPNEHHFPGQ-ZDUSSCGKSA-N
XLogP3.35
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl (S)-3-(tert-butyldimethylsiloxy)glutarate
CID 16212721
(R)-tert-Butyl ethyl 3-(tert-butyldimethylsiloxy)glutarate
CID 25034097
tert-butyl (2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-(trifluoromethyl)pentanoate
CID 134943547
3-[[(1,1-Dimethyl)dimethylsily]oxy]pentanedioic acid monomethyl ester
CID 10934717
ethyl (3R)-5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoro-3-hydroxypentanoate
CID 90176307
Diethyl 3-(tert-Butyldimethylsilyloxy)glutarate
CID 13327289
ethyl (2R,3S,4S)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 11257573
ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 11278132
ethyl (2R,3S,4R)-2-bromo-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 101128514
ethyl (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 134856614
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-5-oxopentanoic acid
CID 134966850
tert-butyl (2R,3R,4S)-5-hydroxy-2,4-dimethyl-3-tri(propan-2-yl)silyloxypentanoate
CID 135012525

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate?
The IUPAC name of 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate (CID 10662325) is 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate.
What is the SMILES notation for 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate?
The canonical SMILES for 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate is CC(C)COC(=O)C[C@H](CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate?
The InChIKey is GPMCRPNEHHFPGQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-12(2)11-18-14(17)10-13(8-9-16)19-20(6,7)15(3,4)5/h12-13,16H,8-11H2,1-7H3/t13-/m0/s1.
What are the key properties of 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate?
2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate has a molecular weight of 304.50 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypentanoate is sourced from PubChem (CID 10662325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).