(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)cyclopentan-1-ol

C19H42O4Si2 — CID 68834762

IUPAC(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)cyclopentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1[C@H](CO)[C@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O4Si2/c1-18(2,3)24(7,8)22-13-15-14(12-20)16(21)11-17(15)23-25(9,10)19(4,5)6/h14-17,20-21H,11-13H2,1-10H3/t14-,15-,16+,17-/m0/s1
InChIKeyBYOXNEVRXWAAOO-NXOAAHMSSA-N
MW390.71 g/mol
LogP4.39
Rot. Bonds6

About (1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)cyclopentan-1-ol

(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 68834762) has the molecular formula C19H42O4Si2 and a molecular weight of 390.71 g/mol. Its IUPAC name is (1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)cyclopentan-1-ol
PubChem CID68834762
Molecular FormulaC19H42O4Si2
Molecular Weight390.71 g/mol
Exact Mass390.26
IUPAC Name(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)cyclopentan-1-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1[C@H](CO)[C@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O4Si2/c1-18(2,3)24(7,8)22-13-15-14(12-20)16(21)11-17(15)23-25(9,10)19(4,5)6/h14-17,20-21H,11-13H2,1-10H3/t14-,15-,16+,17-/m0/s1
InChIKeyBYOXNEVRXWAAOO-NXOAAHMSSA-N
XLogP4.39
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.71
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of (1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)cyclopentan-1-ol (CID 68834762) is (1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for (1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for (1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)cyclopentan-1-ol is CC(C)(C)[Si](C)(C)OC[C@H]1[C@H](CO)[C@H](O)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is BYOXNEVRXWAAOO-NXOAAHMSSA-N. The full InChI is InChI=1S/C19H42O4Si2/c1-18(2,3)24(7,8)22-13-15-14(12-20)16(21)11-17(15)23-25(9,10)19(4,5)6/h14-17,20-21H,11-13H2,1-10H3/t14-,15-,16+,17-/m0/s1.
What are the key properties of (1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)cyclopentan-1-ol?
(1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 390.71 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 68834762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).