tert-butyl-[(2S)-2-[(2R,3R,4S,6S,8S)-2-ethyl-4,8-bis(phenylmethoxy)-1,7-dioxaspiro[2.5]octan-6-yl]pentoxy]-diphenylsilane

C43H54O5Si — CID 177405589

IUPACtert-butyl-[(2S)-2-[(2R,3R,4S,6S,8S)-2-ethyl-4,8-bis(phenylmethoxy)-1,7-dioxaspiro[2.5]octan-6-yl]pentoxy]-diphenylsilane
SMILESCCC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1C[C@H](OCc2ccccc2)[C@@]2(O[C@@H]2CC)[C@@H](OCc2ccccc2)O1
InChIInChI=1S/C43H54O5Si/c1-6-20-35(32-46-49(42(3,4)5,36-25-16-10-17-26-36)37-27-18-11-19-28-37)38-29-40(44-30-33-21-12-8-13-22-33)43(39(7-2)48-43)41(47-38)45-31-34-23-14-9-15-24-34/h8-19,21-28,35,38-41H,6-7,20,29-32H2,1-5H3/t35-,38-,39+,40-,41-,43+/m0/s1
InChIKeyWEDHJMPWNKPRDX-KYUOHNNBSA-N
MW678.99 g/mol
LogP8.44
Rot. Bonds15

About tert-butyl-[(2S)-2-[(2R,3R,4S,6S,8S)-2-ethyl-4,8-bis(phenylmethoxy)-1,7-dioxaspiro[2.5]octan-6-yl]pentoxy]-diphenylsilane

tert-butyl-[(2S)-2-[(2R,3R,4S,6S,8S)-2-ethyl-4,8-bis(phenylmethoxy)-1,7-dioxaspiro[2.5]octan-6-yl]pentoxy]-diphenylsilane (PubChem CID 177405589) has the molecular formula C43H54O5Si and a molecular weight of 678.99 g/mol. Its IUPAC name is tert-butyl-[(2S)-2-[(2R,3R,4S,6S,8S)-2-ethyl-4,8-bis(phenylmethoxy)-1,7-dioxaspiro[2.5]octan-6-yl]pentoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-2-[(2R,3R,4S,6S,8S)-2-ethyl-4,8-bis(phenylmethoxy)-1,7-dioxaspiro[2.5]octan-6-yl]pentoxy]-diphenylsilane
PubChem CID177405589
Molecular FormulaC43H54O5Si
Molecular Weight678.99 g/mol
Exact Mass678.37
IUPAC Nametert-butyl-[(2S)-2-[(2R,3R,4S,6S,8S)-2-ethyl-4,8-bis(phenylmethoxy)-1,7-dioxaspiro[2.5]octan-6-yl]pentoxy]-diphenylsilane
SMILESCCC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1C[C@H](OCc2ccccc2)[C@@]2(O[C@@H]2CC)[C@@H](OCc2ccccc2)O1
InChIInChI=1S/C43H54O5Si/c1-6-20-35(32-46-49(42(3,4)5,36-25-16-10-17-26-36)37-27-18-11-19-28-37)38-29-40(44-30-33-21-12-8-13-22-33)43(39(7-2)48-43)41(47-38)45-31-34-23-14-9-15-24-34/h8-19,21-28,35,38-41H,6-7,20,29-32H2,1-5H3/t35-,38-,39+,40-,41-,43+/m0/s1
InChIKeyWEDHJMPWNKPRDX-KYUOHNNBSA-N
XLogP8.44
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.99
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S,6S)-6-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypentan-2-yl]-3-hydroxy-3-[(1S)-1-hydroxypropyl]-4-phenylmethoxyoxan-2-one
CID 11215597
tert-butyl-diphenyl-[[(2R,3S,5R)-5-phenyl-3-phenylmethoxyoxolan-2-yl]methoxy]silane
CID 102482306
tert-butyl-[2-[(4S,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 11214535
(3R,4S,6S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4,6-dimethoxy-5-phenylmethoxyoxan-3-ol;(3R,4S,6S)-2-ethyl-4,6-dimethoxy-5-phenylmethoxyoxan-3-ol
CID 91336528
(2S,3S,4R,5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyoxane-2,3,4-triol
CID 171125092
(3R,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(hydroxymethyl)-4-phenylmethoxyoxolan-3-ol
CID 102489458
2-[tert-butyl(diphenyl)silyl]oxy-1-(oxetan-3-yl)ethanamine
CID 169182431
(1R)-3-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propan-1-ol
CID 23242968
tert-butyl-diphenyl-[[(4R,5R)-2-phenyl-5-phenylmethoxy-1,3-dioxan-4-yl]methoxy]silane
CID 142503970
1-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-(methoxymethoxy)-7-(phenylmethoxymethoxy)-2-oxabicyclo[2.2.1]heptan-3-ol
CID 59483090
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-phenylmethoxypropanal
CID 101456152
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-2-[(2R,3R,4S,6S,8S)-2-ethyl-4,8-bis(phenylmethoxy)-1,7-dioxaspiro[2.5]octan-6-yl]pentoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2S)-2-[(2R,3R,4S,6S,8S)-2-ethyl-4,8-bis(phenylmethoxy)-1,7-dioxaspiro[2.5]octan-6-yl]pentoxy]-diphenylsilane (CID 177405589) is tert-butyl-[(2S)-2-[(2R,3R,4S,6S,8S)-2-ethyl-4,8-bis(phenylmethoxy)-1,7-dioxaspiro[2.5]octan-6-yl]pentoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S)-2-[(2R,3R,4S,6S,8S)-2-ethyl-4,8-bis(phenylmethoxy)-1,7-dioxaspiro[2.5]octan-6-yl]pentoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S)-2-[(2R,3R,4S,6S,8S)-2-ethyl-4,8-bis(phenylmethoxy)-1,7-dioxaspiro[2.5]octan-6-yl]pentoxy]-diphenylsilane is CCC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1C[C@H](OCc2ccccc2)[C@@]2(O[C@@H]2CC)[C@@H](OCc2ccccc2)O1.
What is the InChIKey of tert-butyl-[(2S)-2-[(2R,3R,4S,6S,8S)-2-ethyl-4,8-bis(phenylmethoxy)-1,7-dioxaspiro[2.5]octan-6-yl]pentoxy]-diphenylsilane?
The InChIKey is WEDHJMPWNKPRDX-KYUOHNNBSA-N. The full InChI is InChI=1S/C43H54O5Si/c1-6-20-35(32-46-49(42(3,4)5,36-25-16-10-17-26-36)37-27-18-11-19-28-37)38-29-40(44-30-33-21-12-8-13-22-33)43(39(7-2)48-43)41(47-38)45-31-34-23-14-9-15-24-34/h8-19,21-28,35,38-41H,6-7,20,29-32H2,1-5H3/t35-,38-,39+,40-,41-,43+/m0/s1.
What are the key properties of tert-butyl-[(2S)-2-[(2R,3R,4S,6S,8S)-2-ethyl-4,8-bis(phenylmethoxy)-1,7-dioxaspiro[2.5]octan-6-yl]pentoxy]-diphenylsilane?
tert-butyl-[(2S)-2-[(2R,3R,4S,6S,8S)-2-ethyl-4,8-bis(phenylmethoxy)-1,7-dioxaspiro[2.5]octan-6-yl]pentoxy]-diphenylsilane has a molecular weight of 678.99 g/mol, XLogP of 8.44, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-2-[(2R,3R,4S,6S,8S)-2-ethyl-4,8-bis(phenylmethoxy)-1,7-dioxaspiro[2.5]octan-6-yl]pentoxy]-diphenylsilane is sourced from PubChem (CID 177405589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).