(2R,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroxycyclohexan-1-one

C19H40O5Si2 — CID 15456419

IUPAC(2R,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroxycyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1[C@@H](O)[C@@H](O)C(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O5Si2/c1-18(2,3)25(7,8)23-12-13-15(11-14(20)17(22)16(13)21)24-26(9,10)19(4,5)6/h13,15-17,21-22H,11-12H2,1-10H3/t13-,15+,16-,17+/m1/s1
InChIKeyFMAYETAAWMMOBI-XBVQOTNRSA-N
MW404.70 g/mol
LogP3.71
Rot. Bonds5

About (2R,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroxycyclohexan-1-one

(2R,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroxycyclohexan-1-one (PubChem CID 15456419) has the molecular formula C19H40O5Si2 and a molecular weight of 404.70 g/mol. Its IUPAC name is (2R,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroxycyclohexan-1-one.

Molecular Properties

Compound Name(2R,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroxycyclohexan-1-one
PubChem CID15456419
Molecular FormulaC19H40O5Si2
Molecular Weight404.70 g/mol
Exact Mass404.24
IUPAC Name(2R,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroxycyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1[C@@H](O)[C@@H](O)C(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H40O5Si2/c1-18(2,3)25(7,8)23-12-13-15(11-14(20)17(22)16(13)21)24-26(9,10)19(4,5)6/h13,15-17,21-22H,11-12H2,1-10H3/t13-,15+,16-,17+/m1/s1
InChIKeyFMAYETAAWMMOBI-XBVQOTNRSA-N
XLogP3.71
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.70
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (2R,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroxycyclohexan-1-one?
The IUPAC name of (2R,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroxycyclohexan-1-one (CID 15456419) is (2R,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroxycyclohexan-1-one.
What is the SMILES notation for (2R,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroxycyclohexan-1-one?
The canonical SMILES for (2R,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroxycyclohexan-1-one is CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H](O)[C@@H](O)C(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroxycyclohexan-1-one?
The InChIKey is FMAYETAAWMMOBI-XBVQOTNRSA-N. The full InChI is InChI=1S/C19H40O5Si2/c1-18(2,3)25(7,8)23-12-13-15(11-14(20)17(22)16(13)21)24-26(9,10)19(4,5)6/h13,15-17,21-22H,11-12H2,1-10H3/t13-,15+,16-,17+/m1/s1.
What are the key properties of (2R,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroxycyclohexan-1-one?
(2R,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroxycyclohexan-1-one has a molecular weight of 404.70 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroxycyclohexan-1-one is sourced from PubChem (CID 15456419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).