(2S,3S,5S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-3-methyldecane-1,2-diol

C28H44O4Si — CID 57408223

IUPAC(2S,3S,5S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-3-methyldecane-1,2-diol
SMILESCCC[C@@H](C[C@H](C[C@H](C)[C@H](O)CO)OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H44O4Si/c1-7-14-23(20-24(31-6)19-22(2)27(30)21-29)32-33(28(3,4)5,25-15-10-8-11-16-25)26-17-12-9-13-18-26/h8-13,15-18,22-24,27,29-30H,7,14,19-21H2,1-6H3/t22-,23-,24-,27+/m0/s1
InChIKeyQICSUUZLOQVGDT-IPVQETTRSA-N
MW472.74 g/mol
LogP4.52
Rot. Bonds13

About (2S,3S,5S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-3-methyldecane-1,2-diol

(2S,3S,5S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-3-methyldecane-1,2-diol (PubChem CID 57408223) has the molecular formula C28H44O4Si and a molecular weight of 472.74 g/mol. Its IUPAC name is (2S,3S,5S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-3-methyldecane-1,2-diol.

Molecular Properties

Compound Name(2S,3S,5S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-3-methyldecane-1,2-diol
PubChem CID57408223
Molecular FormulaC28H44O4Si
Molecular Weight472.74 g/mol
Exact Mass472.30
IUPAC Name(2S,3S,5S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-3-methyldecane-1,2-diol
SMILESCCC[C@@H](C[C@H](C[C@H](C)[C@H](O)CO)OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H44O4Si/c1-7-14-23(20-24(31-6)19-22(2)27(30)21-29)32-33(28(3,4)5,25-15-10-8-11-16-25)26-17-12-9-13-18-26/h8-13,15-18,22-24,27,29-30H,7,14,19-21H2,1-6H3/t22-,23-,24-,27+/m0/s1
InChIKeyQICSUUZLOQVGDT-IPVQETTRSA-N
XLogP4.52
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.74
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
(2S,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-6-methylheptane-1,2-diol
CID 71514828
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
(2R,3R)-5-azido-3-[tert-butyl(diphenyl)silyl]oxypentane-1,2-diol
CID 11795236
(3S)-3-[tert-butyl(diphenyl)silyl]oxypentane-1,4-diol
CID 15409689
[(4R,6R,7R)-6-[tert-butyl(diphenyl)silyl]oxy-7,8-dihydroxyoctan-4-yl] hex-5-enoate
CID 134938019
(3R)-3-[tert-butyl(diphenyl)silyl]oxyoctan-2-ol
CID 58876341
(2S,3R,4S)-6-[tert-butyl(diphenyl)silyl]oxy-3-methylhexane-1,2,4-triol
CID 162397807
tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol
CID 175160919
tert-butyl-[(4R,6R,8R)-6-methoxy-9-[(2S,4R,6R)-4-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]-8-methylnonan-4-yl]oxy-diphenylsilane
CID 46844933
tert-butyl-(1-iodopentan-3-yloxy)-diphenylsilane
CID 11080903

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-3-methyldecane-1,2-diol?
The IUPAC name of (2S,3S,5S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-3-methyldecane-1,2-diol (CID 57408223) is (2S,3S,5S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-3-methyldecane-1,2-diol.
What is the SMILES notation for (2S,3S,5S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-3-methyldecane-1,2-diol?
The canonical SMILES for (2S,3S,5S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-3-methyldecane-1,2-diol is CCC[C@@H](C[C@H](C[C@H](C)[C@H](O)CO)OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S,3S,5S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-3-methyldecane-1,2-diol?
The InChIKey is QICSUUZLOQVGDT-IPVQETTRSA-N. The full InChI is InChI=1S/C28H44O4Si/c1-7-14-23(20-24(31-6)19-22(2)27(30)21-29)32-33(28(3,4)5,25-15-10-8-11-16-25)26-17-12-9-13-18-26/h8-13,15-18,22-24,27,29-30H,7,14,19-21H2,1-6H3/t22-,23-,24-,27+/m0/s1.
What are the key properties of (2S,3S,5S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-3-methyldecane-1,2-diol?
(2S,3S,5S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-3-methyldecane-1,2-diol has a molecular weight of 472.74 g/mol, XLogP of 4.52, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S,7S)-7-[tert-butyl(diphenyl)silyl]oxy-5-methoxy-3-methyldecane-1,2-diol is sourced from PubChem (CID 57408223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).