(1S)-1-[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-6-yl]ethanol

C26H56O5Si3 — CID 99771782

IUPAC(1S)-1-[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-6-yl]ethanol
SMILESC[C@H](O)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C26H56O5Si3/c1-19(27)20-17-21(30-33(13,14)25(5,6)7)23(31-34(15,16)26(8,9)10)22(29-20)18-28-32(11,12)24(2,3)4/h17,19,21-23,27H,18H2,1-16H3/t19-,21+,22+,23-/m0/s1
InChIKeyKEJAHGMRGCZKJW-IZBOUPIGSA-N
MW532.99 g/mol
LogP7.45
Rot. Bonds8

About (1S)-1-[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-6-yl]ethanol

(1S)-1-[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-6-yl]ethanol (PubChem CID 99771782) has the molecular formula C26H56O5Si3 and a molecular weight of 532.99 g/mol. Its IUPAC name is (1S)-1-[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-6-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-6-yl]ethanol
PubChem CID99771782
Molecular FormulaC26H56O5Si3
Molecular Weight532.99 g/mol
Exact Mass532.34
IUPAC Name(1S)-1-[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-6-yl]ethanol
SMILESC[C@H](O)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C26H56O5Si3/c1-19(27)20-17-21(30-33(13,14)25(5,6)7)23(31-34(15,16)26(8,9)10)22(29-20)18-28-32(11,12)24(2,3)4/h17,19,21-23,27H,18H2,1-16H3/t19-,21+,22+,23-/m0/s1
InChIKeyKEJAHGMRGCZKJW-IZBOUPIGSA-N
XLogP7.45
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.99
LogP ≤ 57.45
H-Bond Donors ≤ 51
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 (1S)-1-[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-6-yl]ethanol?
The IUPAC name of (1S)-1-[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-6-yl]ethanol (CID 99771782) is (1S)-1-[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-6-yl]ethanol.
What is the SMILES notation for (1S)-1-[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-6-yl]ethanol?
The canonical SMILES for (1S)-1-[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-6-yl]ethanol is C[C@H](O)C1=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (1S)-1-[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-6-yl]ethanol?
The InChIKey is KEJAHGMRGCZKJW-IZBOUPIGSA-N. The full InChI is InChI=1S/C26H56O5Si3/c1-19(27)20-17-21(30-33(13,14)25(5,6)7)23(31-34(15,16)26(8,9)10)22(29-20)18-28-32(11,12)24(2,3)4/h17,19,21-23,27H,18H2,1-16H3/t19-,21+,22+,23-/m0/s1.
What are the key properties of (1S)-1-[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-6-yl]ethanol?
(1S)-1-[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-6-yl]ethanol has a molecular weight of 532.99 g/mol, XLogP of 7.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-6-yl]ethanol is sourced from PubChem (CID 99771782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).