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

C38H62O5Si2 — CID 11250839

IUPACtert-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
SMILESC=CC[C@@H]1O[C@@H](C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OCOC)[C@H](C)CO[Si](C)(C)C(C)(C)C)C[C@@H]1C
InChIInChI=1S/C38H62O5Si2/c1-13-20-34-29(2)25-31(42-34)26-35(36(40-28-39-10)30(3)27-41-44(11,12)37(4,5)6)43-45(38(7,8)9,32-21-16-14-17-22-32)33-23-18-15-19-24-33/h13-19,21-24,29-31,34-36H,1,20,25-28H2,2-12H3/t29-,30+,31+,34-,35-,36-/m0/s1
InChIKeyNCHWIOLXAPMQQP-KLXFTXDBSA-N
MW655.08 g/mol
LogP8.34
Rot. Bonds16

About 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

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 (PubChem CID 11250839) has the molecular formula C38H62O5Si2 and a molecular weight of 655.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID11250839
Molecular FormulaC38H62O5Si2
Molecular Weight655.08 g/mol
Exact Mass654.41
IUPAC Nametert-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
SMILESC=CC[C@@H]1O[C@@H](C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OCOC)[C@H](C)CO[Si](C)(C)C(C)(C)C)C[C@@H]1C
InChIInChI=1S/C38H62O5Si2/c1-13-20-34-29(2)25-31(42-34)26-35(36(40-28-39-10)30(3)27-41-44(11,12)37(4,5)6)43-45(38(7,8)9,32-21-16-14-17-22-32)33-23-18-15-19-24-33/h13-19,21-24,29-31,34-36H,1,20,25-28H2,2-12H3/t29-,30+,31+,34-,35-,36-/m0/s1
InChIKeyNCHWIOLXAPMQQP-KLXFTXDBSA-N
XLogP8.34
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.08
LogP ≤ 58.34
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

tert-butyl-[(2S,3R,4R)-3-(methoxymethoxy)-2,4-dimethylhex-5-enoxy]-diphenylsilane
CID 132549370
(3S,4S,5R,6S,8S,9Z,11S,12S,13S)-6-[tert-butyl(dimethyl)silyl]oxy-8,14-bis[[tert-butyl(diphenyl)silyl]oxy]-12-(methoxymethoxy)-3,5,11,13-tetramethyltetradeca-1,9-dien-4-ol
CID 11170583
(2R,3R,4R,6R)-6-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-prop-2-enyl-4-tri(propan-2-yl)silyloxyoxan-3-ol
CID 11180922
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
2-[(2S,3R,5R)-5-[(1S,2R)-3-[tert-butyl(diphenyl)silyl]oxy-1,2-bis(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol
CID 132938512
(2S,3R,6S,7R)-7-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-6-methoxy-2-prop-2-enyloxepan-3-ol
CID 146164177
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-[[(2S,3S,4S,5R)-4-methyl-2,5-bis(prop-2-enyl)oxolan-3-yl]methoxy]-diphenylsilane
CID 11327994
(3R,4R,5S,6R,7R)-6-[tert-butyl(dimethyl)silyl]oxy-8-[tert-butyl(diphenyl)silyl]oxy-3,5,7-trimethyloct-1-en-4-ol
CID 101106261
tert-butyl-[(5S,7R)-7-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)non-8-enoxy]-diphenylsilane
CID 24938591
[(2R,3R,5R)-5-benzyl-2-prop-2-enyloxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 42643409
tert-butyl-[(2R,3S,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[(Z)-prop-1-enyl]oxolan-3-yl]oxy-diphenylsilane
CID 101161585

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC[C@@H]1O[C@@H](C[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](OCOC)[C@H](C)CO[Si](C)(C)C(C)(C)C)C[C@@H]1C.
What is the InChIKey of 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?
The InChIKey is NCHWIOLXAPMQQP-KLXFTXDBSA-N. The full InChI is InChI=1S/C38H62O5Si2/c1-13-20-34-29(2)25-31(42-34)26-35(36(40-28-39-10)30(3)27-41-44(11,12)37(4,5)6)43-45(38(7,8)9,32-21-16-14-17-22-32)33-23-18-15-19-24-33/h13-19,21-24,29-31,34-36H,1,20,25-28H2,2-12H3/t29-,30+,31+,34-,35-,36-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 655.08 g/mol, XLogP of 8.34, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11250839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).