[(1S,2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-sulfanylcyclopentyl]methanol

C18H40O3SSi2 — CID 10938043

IUPAC[(1S,2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-sulfanylcyclopentyl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@H](CO)C[C@H](S)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3SSi2/c1-17(2,3)23(7,8)20-15-13(12-19)11-14(22)16(15)21-24(9,10)18(4,5)6/h13-16,19,22H,11-12H2,1-10H3/t13-,14-,15+,16-/m0/s1
InChIKeyTWAVGBACAZAEJO-JONQDZQNSA-N
MW392.75 g/mol
LogP5.08
Rot. Bonds5

About [(1S,2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-sulfanylcyclopentyl]methanol

[(1S,2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-sulfanylcyclopentyl]methanol (PubChem CID 10938043) has the molecular formula C18H40O3SSi2 and a molecular weight of 392.75 g/mol. Its IUPAC name is [(1S,2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-sulfanylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-sulfanylcyclopentyl]methanol
PubChem CID10938043
Molecular FormulaC18H40O3SSi2
Molecular Weight392.75 g/mol
Exact Mass392.22
IUPAC Name[(1S,2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-sulfanylcyclopentyl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@H](CO)C[C@H](S)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H40O3SSi2/c1-17(2,3)23(7,8)20-15-13(12-19)11-14(22)16(15)21-24(9,10)18(4,5)6/h13-16,19,22H,11-12H2,1-10H3/t13-,14-,15+,16-/m0/s1
InChIKeyTWAVGBACAZAEJO-JONQDZQNSA-N
XLogP5.08
TPSA38.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.75
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-sulfanylcyclopentyl]methanol?
The IUPAC name of [(1S,2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-sulfanylcyclopentyl]methanol (CID 10938043) is [(1S,2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-sulfanylcyclopentyl]methanol.
What is the SMILES notation for [(1S,2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-sulfanylcyclopentyl]methanol?
The canonical SMILES for [(1S,2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-sulfanylcyclopentyl]methanol is CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](CO)C[C@H](S)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1S,2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-sulfanylcyclopentyl]methanol?
The InChIKey is TWAVGBACAZAEJO-JONQDZQNSA-N. The full InChI is InChI=1S/C18H40O3SSi2/c1-17(2,3)23(7,8)20-15-13(12-19)11-14(22)16(15)21-24(9,10)18(4,5)6/h13-16,19,22H,11-12H2,1-10H3/t13-,14-,15+,16-/m0/s1.
What are the key properties of [(1S,2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-sulfanylcyclopentyl]methanol?
[(1S,2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-sulfanylcyclopentyl]methanol has a molecular weight of 392.75 g/mol, XLogP of 5.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3R,4S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-sulfanylcyclopentyl]methanol is sourced from PubChem (CID 10938043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).