1-[(1R,2R,3S)-3-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]ethanol

C32H48O4Si — CID 12986192

IUPAC1-[(1R,2R,3S)-3-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]ethanol
SMILESCC(O)[C@@H]1CC[C@H]([C@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1CCC1(C)OCCO1
InChIInChI=1S/C32H48O4Si/c1-24(28-17-18-29(25(2)33)30(28)19-20-32(6)34-21-22-35-32)23-36-37(31(3,4)5,26-13-9-7-10-14-26)27-15-11-8-12-16-27/h7-16,24-25,28-30,33H,17-23H2,1-6H3/t24-,25?,28-,29+,30-/m1/s1
InChIKeyYJGNJQMDPIWYOV-KXRNSFLTSA-N
MW524.82 g/mol
LogP5.77
Rot. Bonds10

About 1-[(1R,2R,3S)-3-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]ethanol

1-[(1R,2R,3S)-3-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]ethanol (PubChem CID 12986192) has the molecular formula C32H48O4Si and a molecular weight of 524.82 g/mol. Its IUPAC name is 1-[(1R,2R,3S)-3-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]ethanol.

Molecular Properties

Compound Name1-[(1R,2R,3S)-3-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]ethanol
PubChem CID12986192
Molecular FormulaC32H48O4Si
Molecular Weight524.82 g/mol
Exact Mass524.33
IUPAC Name1-[(1R,2R,3S)-3-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]ethanol
SMILESCC(O)[C@@H]1CC[C@H]([C@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1CCC1(C)OCCO1
InChIInChI=1S/C32H48O4Si/c1-24(28-17-18-29(25(2)33)30(28)19-20-32(6)34-21-22-35-32)23-36-37(31(3,4)5,26-13-9-7-10-14-26)27-15-11-8-12-16-27/h7-16,24-25,28-30,33H,17-23H2,1-6H3/t24-,25?,28-,29+,30-/m1/s1
InChIKeyYJGNJQMDPIWYOV-KXRNSFLTSA-N
XLogP5.77
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.82
LogP ≤ 55.77
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

tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidine-1-carboxylate
CID 10769369
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4R,5S)-5-[(1S)-1-hydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 23242980
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
tert-butyl-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(1,3-dioxolan-2-yl)butoxy]-diphenylsilane
CID 10439261
(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol
CID 15318695
1-[4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutyl]cyclopropan-1-ol
CID 123510913
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
tert-butyl-[(E,2R)-2,4-dimethyl-8-[(2S)-oxiran-2-yl]oct-4-enoxy]-diphenylsilane
CID 135079027
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
CID 134973268
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R,3S)-3-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]ethanol?
The IUPAC name of 1-[(1R,2R,3S)-3-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]ethanol (CID 12986192) is 1-[(1R,2R,3S)-3-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]ethanol.
What is the SMILES notation for 1-[(1R,2R,3S)-3-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]ethanol?
The canonical SMILES for 1-[(1R,2R,3S)-3-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]ethanol is CC(O)[C@@H]1CC[C@H]([C@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1CCC1(C)OCCO1.
What is the InChIKey of 1-[(1R,2R,3S)-3-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]ethanol?
The InChIKey is YJGNJQMDPIWYOV-KXRNSFLTSA-N. The full InChI is InChI=1S/C32H48O4Si/c1-24(28-17-18-29(25(2)33)30(28)19-20-32(6)34-21-22-35-32)23-36-37(31(3,4)5,26-13-9-7-10-14-26)27-15-11-8-12-16-27/h7-16,24-25,28-30,33H,17-23H2,1-6H3/t24-,25?,28-,29+,30-/m1/s1.
What are the key properties of 1-[(1R,2R,3S)-3-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]ethanol?
1-[(1R,2R,3S)-3-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]ethanol has a molecular weight of 524.82 g/mol, XLogP of 5.77, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R,3S)-3-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]cyclopentyl]ethanol is sourced from PubChem (CID 12986192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).