[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentan-3-yl] chloromethanesulfonate

C24H35ClO4SSi — CID 102001891

IUPAC[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentan-3-yl] chloromethanesulfonate
SMILESCC(C)[C@@H](OS(=O)(=O)CCl)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H35ClO4SSi/c1-19(2)23(29-30(26,27)18-25)20(3)17-28-31(24(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,19-20,23H,17-18H2,1-6H3/t20-,23+/m0/s1
InChIKeyCSCJALCCODQWBR-NZQKXSOJSA-N
MW483.15 g/mol
LogP4.77
Rot. Bonds10

About [(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentan-3-yl] chloromethanesulfonate

[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentan-3-yl] chloromethanesulfonate (PubChem CID 102001891) has the molecular formula C24H35ClO4SSi and a molecular weight of 483.15 g/mol. Its IUPAC name is [(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentan-3-yl] chloromethanesulfonate.

Molecular Properties

Compound Name[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentan-3-yl] chloromethanesulfonate
PubChem CID102001891
Molecular FormulaC24H35ClO4SSi
Molecular Weight483.15 g/mol
Exact Mass482.17
IUPAC Name[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentan-3-yl] chloromethanesulfonate
SMILESCC(C)[C@@H](OS(=O)(=O)CCl)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H35ClO4SSi/c1-19(2)23(29-30(26,27)18-25)20(3)17-28-31(24(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,19-20,23H,17-18H2,1-6H3/t20-,23+/m0/s1
InChIKeyCSCJALCCODQWBR-NZQKXSOJSA-N
XLogP4.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.15
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl] methanesulfonate
CID 140814430
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
CID 134973268
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717
(2S,3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethyl-3-phenylmethoxypentanal
CID 14394625
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
(2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentan-1-ol
CID 23248208
[(2S,5S)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]-5-(trifluoromethylsulfonyloxy)hexan-2-yl] trifluoromethanesulfonate
CID 23254753
ethyl (2R,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 101265935
tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane
CID 132549370
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile
CID 135070685
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylpent-4-enyl] methanesulfonate
CID 145359387

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentan-3-yl] chloromethanesulfonate?
The IUPAC name of [(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentan-3-yl] chloromethanesulfonate (CID 102001891) is [(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentan-3-yl] chloromethanesulfonate.
What is the SMILES notation for [(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentan-3-yl] chloromethanesulfonate?
The canonical SMILES for [(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentan-3-yl] chloromethanesulfonate is CC(C)[C@@H](OS(=O)(=O)CCl)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentan-3-yl] chloromethanesulfonate?
The InChIKey is CSCJALCCODQWBR-NZQKXSOJSA-N. The full InChI is InChI=1S/C24H35ClO4SSi/c1-19(2)23(29-30(26,27)18-25)20(3)17-28-31(24(4,5)6,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,19-20,23H,17-18H2,1-6H3/t20-,23+/m0/s1.
What are the key properties of [(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentan-3-yl] chloromethanesulfonate?
[(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentan-3-yl] chloromethanesulfonate has a molecular weight of 483.15 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylpentan-3-yl] chloromethanesulfonate is sourced from PubChem (CID 102001891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).