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

C37H58O5Si — CID 46844933

IUPACtert-butyl-[(4R,6R,8R)-6-methoxy-9-[(2S,4R,6R)-4-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]-8-methylnonan-4-yl]oxy-diphenylsilane
SMILESC=CC[C@@H]1C[C@@H](OCOC)C[C@H](C[C@H](C)C[C@H](C[C@@H](CCC)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC)O1
InChIInChI=1S/C37H58O5Si/c1-9-17-30-25-33(40-28-38-7)27-34(41-30)24-29(3)23-32(39-8)26-31(18-10-2)42-43(37(4,5)6,35-19-13-11-14-20-35)36-21-15-12-16-22-36/h9,11-16,19-22,29-34H,1,10,17-18,23-28H2,2-8H3/t29-,30-,31-,32-,33-,34+/m1/s1
InChIKeyMDHBSLHOWCXBMC-MZIHQXLJSA-N
MW610.95 g/mol
LogP7.67
Rot. Bonds18

About 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

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 (PubChem CID 46844933) has the molecular formula C37H58O5Si and a molecular weight of 610.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-butyl-[(4R,6R,8R)-6-methoxy-9-[(2S,4R,6R)-4-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]-8-methylnonan-4-yl]oxy-diphenylsilane
PubChem CID46844933
Molecular FormulaC37H58O5Si
Molecular Weight610.95 g/mol
Exact Mass610.41
IUPAC Nametert-butyl-[(4R,6R,8R)-6-methoxy-9-[(2S,4R,6R)-4-(methoxymethoxy)-6-prop-2-enyloxan-2-yl]-8-methylnonan-4-yl]oxy-diphenylsilane
SMILESC=CC[C@@H]1C[C@@H](OCOC)C[C@H](C[C@H](C)C[C@H](C[C@@H](CCC)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC)O1
InChIInChI=1S/C37H58O5Si/c1-9-17-30-25-33(40-28-38-7)27-34(41-30)24-29(3)23-32(39-8)26-31(18-10-2)42-43(37(4,5)6,35-19-13-11-14-20-35)36-21-15-12-16-22-36/h9,11-16,19-22,29-34H,1,10,17-18,23-28H2,2-8H3/t29-,30-,31-,32-,33-,34+/m1/s1
InChIKeyMDHBSLHOWCXBMC-MZIHQXLJSA-N
XLogP7.67
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.95
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 57408223
tert-butyl-[(2S,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-4-methyl-1-[(2R,4S,5S)-4-methyl-5-prop-2-enyloxolan-2-yl]pentan-2-yl]oxy-diphenylsilane
CID 11250839
(4R,6R)-6-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methyloxan-2-one
CID 46844682
tert-butyl-[(2R,4R)-1-iodo-2,6-dimethylheptan-4-yl]oxy-diphenylsilane
CID 25001335
tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane
CID 11988597
tert-butyl-[(3S,5S)-3,5-dimethoxy-6-[(2S)-oxiran-2-yl]hexoxy]-diphenylsilane
CID 11037593
tert-butyl-[(2S)-1-[(1R,2R)-2-ethenylcyclopropyl]propan-2-yl]oxy-diphenylsilane
CID 11175995
tert-butyl-diphenyl-tetradecan-2-yloxysilane
CID 71344239
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
tert-butyl-[(2S)-1-[(4R,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]pent-4-en-2-yl]oxy-diphenylsilane
CID 11467432
tert-butyl-diphenyl-[(2R,3R,5S,6R)-2,4,6-tris(methoxymethoxy)-3,5-bis(triethylsilyloxy)cyclohexyl]oxysilane
CID 46702416
tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC[C@@H]1C[C@@H](OCOC)C[C@H](C[C@H](C)C[C@H](C[C@@H](CCC)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)OC)O1.
What is the InChIKey of 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?
The InChIKey is MDHBSLHOWCXBMC-MZIHQXLJSA-N. The full InChI is InChI=1S/C37H58O5Si/c1-9-17-30-25-33(40-28-38-7)27-34(41-30)24-29(3)23-32(39-8)26-31(18-10-2)42-43(37(4,5)6,35-19-13-11-14-20-35)36-21-15-12-16-22-36/h9,11-16,19-22,29-34H,1,10,17-18,23-28H2,2-8H3/t29-,30-,31-,32-,33-,34+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 610.95 g/mol, XLogP of 7.67, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 46844933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).