(2S,3S,4aR,8aR)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol

C26H36O4Si — CID 10646782

IUPAC(2S,3S,4aR,8aR)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol
SMILESCC(C)(C)[Si](OCC[C@@H]1O[C@@H]2CCCO[C@@H]2C[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36O4Si/c1-26(2,3)31(20-11-6-4-7-12-20,21-13-8-5-9-14-21)29-18-16-23-22(27)19-25-24(30-23)15-10-17-28-25/h4-9,11-14,22-25,27H,10,15-19H2,1-3H3/t22-,23-,24+,25+/m0/s1
InChIKeyGHMHUUOCJBLSIW-CXSMSNRLSA-N
MW440.66 g/mol
LogP3.65
Rot. Bonds6

About (2S,3S,4aR,8aR)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol

(2S,3S,4aR,8aR)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol (PubChem CID 10646782) has the molecular formula C26H36O4Si and a molecular weight of 440.66 g/mol. Its IUPAC name is (2S,3S,4aR,8aR)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol.

Molecular Properties

Compound Name(2S,3S,4aR,8aR)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol
PubChem CID10646782
Molecular FormulaC26H36O4Si
Molecular Weight440.66 g/mol
Exact Mass440.24
IUPAC Name(2S,3S,4aR,8aR)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol
SMILESCC(C)(C)[Si](OCC[C@@H]1O[C@@H]2CCCO[C@@H]2C[C@@H]1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H36O4Si/c1-26(2,3)31(20-11-6-4-7-12-20,21-13-8-5-9-14-21)29-18-16-23-22(27)19-25-24(30-23)15-10-17-28-25/h4-9,11-14,22-25,27H,10,15-19H2,1-3H3/t22-,23-,24+,25+/m0/s1
InChIKeyGHMHUUOCJBLSIW-CXSMSNRLSA-N
XLogP3.65
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.66
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,3S,4aR,8aR)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol with MolForge

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Related Compounds

(1S)-1-[(3aR,7aS)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran-2-yl]-2-[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]ethanol
CID 135010313
(2R,3S)-2-[[(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxiran-2-yl]methyl]oxan-3-ol
CID 102426988
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CID 24756174
tert-butyl-[3-[(2S,3S)-3-methoxyoxan-2-yl]propoxy]-diphenylsilane
CID 23240942
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
(3R,6S)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-3,6-dihydro-2H-pyran-3-ol
CID 101438231
(1R)-1-[(2S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]ethane-1,2-diol
CID 11452775
(2S,3R,6S,7R)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-methoxy-2-prop-2-enyloxepan-3-ol
CID 146164177
CID 101368247
CID 101368247
(2R,3R,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(2-hydroxypropan-2-yloxy)oxolan-3-ol
CID 144948924
(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2R)-oxan-2-yl]ethanol
CID 15318695
(1R,4R,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-ol
CID 10571070

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4aR,8aR)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol?
The IUPAC name of (2S,3S,4aR,8aR)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol (CID 10646782) is (2S,3S,4aR,8aR)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol.
What is the SMILES notation for (2S,3S,4aR,8aR)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol?
The canonical SMILES for (2S,3S,4aR,8aR)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol is CC(C)(C)[Si](OCC[C@@H]1O[C@@H]2CCCO[C@@H]2C[C@@H]1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,3S,4aR,8aR)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol?
The InChIKey is GHMHUUOCJBLSIW-CXSMSNRLSA-N. The full InChI is InChI=1S/C26H36O4Si/c1-26(2,3)31(20-11-6-4-7-12-20,21-13-8-5-9-14-21)29-18-16-23-22(27)19-25-24(30-23)15-10-17-28-25/h4-9,11-14,22-25,27H,10,15-19H2,1-3H3/t22-,23-,24+,25+/m0/s1.
What are the key properties of (2S,3S,4aR,8aR)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol?
(2S,3S,4aR,8aR)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol has a molecular weight of 440.66 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4aR,8aR)-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3-ol is sourced from PubChem (CID 10646782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).