(2R,3R,8R,9S)-9-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[(1S)-1-methoxy-3-phenylmethoxypropyl]-4,4,8-trimethyl-3-prop-2-enoxy-1,10-dioxaspiro[4.5]decan-7-one

C43H58O7Si — CID 135055286

IUPAC(2R,3R,8R,9S)-9-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[(1S)-1-methoxy-3-phenylmethoxypropyl]-4,4,8-trimethyl-3-prop-2-enoxy-1,10-dioxaspiro[4.5]decan-7-one
SMILESC=CCO[C@H]1[C@@H]([C@H](CCOCc2ccccc2)OC)OC2(CC(=O)[C@H](C)[C@H](CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)C1(C)C
InChIInChI=1S/C43H58O7Si/c1-9-27-47-40-39(38(45-8)25-28-46-31-33-19-13-10-14-20-33)50-43(42(40,6)7)30-36(44)32(2)37(49-43)26-29-48-51(41(3,4)5,34-21-15-11-16-22-34)35-23-17-12-18-24-35/h9-24,32,37-40H,1,25-31H2,2-8H3/t32-,37-,38-,39+,40-,43?/m0/s1
InChIKeyRWZJCIARYSJREC-SQMQBCEHSA-N
MW715.02 g/mol
LogP7.26
Rot. Bonds16

About (2R,3R,8R,9S)-9-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[(1S)-1-methoxy-3-phenylmethoxypropyl]-4,4,8-trimethyl-3-prop-2-enoxy-1,10-dioxaspiro[4.5]decan-7-one

(2R,3R,8R,9S)-9-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[(1S)-1-methoxy-3-phenylmethoxypropyl]-4,4,8-trimethyl-3-prop-2-enoxy-1,10-dioxaspiro[4.5]decan-7-one (PubChem CID 135055286) has the molecular formula C43H58O7Si and a molecular weight of 715.02 g/mol. Its IUPAC name is (2R,3R,8R,9S)-9-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[(1S)-1-methoxy-3-phenylmethoxypropyl]-4,4,8-trimethyl-3-prop-2-enoxy-1,10-dioxaspiro[4.5]decan-7-one.

Molecular Properties

Compound Name(2R,3R,8R,9S)-9-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[(1S)-1-methoxy-3-phenylmethoxypropyl]-4,4,8-trimethyl-3-prop-2-enoxy-1,10-dioxaspiro[4.5]decan-7-one
PubChem CID135055286
Molecular FormulaC43H58O7Si
Molecular Weight715.02 g/mol
Exact Mass714.40
IUPAC Name(2R,3R,8R,9S)-9-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[(1S)-1-methoxy-3-phenylmethoxypropyl]-4,4,8-trimethyl-3-prop-2-enoxy-1,10-dioxaspiro[4.5]decan-7-one
SMILESC=CCO[C@H]1[C@@H]([C@H](CCOCc2ccccc2)OC)OC2(CC(=O)[C@H](C)[C@H](CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)C1(C)C
InChIInChI=1S/C43H58O7Si/c1-9-27-47-40-39(38(45-8)25-28-46-31-33-19-13-10-14-20-33)50-43(42(40,6)7)30-36(44)32(2)37(49-43)26-29-48-51(41(3,4)5,34-21-15-11-16-22-34)35-23-17-12-18-24-35/h9-24,32,37-40H,1,25-31H2,2-8H3/t32-,37-,38-,39+,40-,43?/m0/s1
InChIKeyRWZJCIARYSJREC-SQMQBCEHSA-N
XLogP7.26
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.02
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R,3R,8R,9S)-9-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[(1S)-1-methoxy-3-phenylmethoxypropyl]-4,4,8-trimethyl-3-prop-2-enoxy-1,10-dioxaspiro[4.5]decan-7-one with MolForge

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Launch Full Analysis

Related Compounds

ethyl (3R)-4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-hydroxybutanoate
CID 11342644
ethyl 2-fluoro-2-[(2S,3S,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]octadecanoate
CID 175219546
2-[(4S,6R)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]propyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetaldehyde
CID 10721932
[(E,2R,3R,10S,11R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2-methyl-7-oxo-1-phenyl-11-phenylmethoxy-10-trimethylsilyloxyundec-8-en-3-yl] 2,2-dimethylpropanoate
CID 10876580
1-[(3aR,5S,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(diphenyl)silyl]oxyethanone
CID 10886103
(5S)-5-[(1R,2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylmethoxypropyl]oxolan-2-one
CID 10918143
[(2R,3R,10S,11R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-11-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-2-methyl-7-oxo-1-phenyl-11-phenylmethoxy-10-trimethylsilyloxyundec-8-yn-3-yl] 2,2-dimethylpropanoate
CID 11061821
(5R)-2,2-diethyl-5-[(R)-[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-trimethylsilyloxymethyl]-1,3-dioxolan-4-one
CID 11125275
ethyl 4-[(2R,6S)-6-[(2S)-2-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxybutyl]oxan-2-yl]-3-oxobutanoate
CID 11157935
(E)-2-[(4S,6R)-6-[(2S)-2,4-bis(phenylmethoxy)butyl]-2,2-dimethyl-1,3-dioxan-4-yl]-6-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)propyl]-1,3-dioxolan-2-yl]-2-methylhex-4-en-3-one
CID 11216570
(2S,6S,7R)-2-[[(2R,3R,4R,5S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[2-(methoxymethoxy)ethyl]-4,5-bis(phenylmethoxy)oxan-2-yl]methyl]-6-phenylmethoxy-7-(phenylmethoxymethyl)oxepan-3-one
CID 11228303
tert-butyl-[(E)-5-[(4S,6R,8R,10R,11R,13R)-13-methyl-11-phenylmethoxy-10-(2-phenylmethoxyethyl)-5,7,9-trioxadispiro[5.1.58.26]pentadec-1-en-4-yl]pent-4-enoxy]-diphenylsilane
CID 11262852

Frequently Asked Questions

What is the IUPAC name of (2R,3R,8R,9S)-9-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[(1S)-1-methoxy-3-phenylmethoxypropyl]-4,4,8-trimethyl-3-prop-2-enoxy-1,10-dioxaspiro[4.5]decan-7-one?
The IUPAC name of (2R,3R,8R,9S)-9-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[(1S)-1-methoxy-3-phenylmethoxypropyl]-4,4,8-trimethyl-3-prop-2-enoxy-1,10-dioxaspiro[4.5]decan-7-one (CID 135055286) is (2R,3R,8R,9S)-9-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[(1S)-1-methoxy-3-phenylmethoxypropyl]-4,4,8-trimethyl-3-prop-2-enoxy-1,10-dioxaspiro[4.5]decan-7-one.
What is the SMILES notation for (2R,3R,8R,9S)-9-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[(1S)-1-methoxy-3-phenylmethoxypropyl]-4,4,8-trimethyl-3-prop-2-enoxy-1,10-dioxaspiro[4.5]decan-7-one?
The canonical SMILES for (2R,3R,8R,9S)-9-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[(1S)-1-methoxy-3-phenylmethoxypropyl]-4,4,8-trimethyl-3-prop-2-enoxy-1,10-dioxaspiro[4.5]decan-7-one is C=CCO[C@H]1[C@@H]([C@H](CCOCc2ccccc2)OC)OC2(CC(=O)[C@H](C)[C@H](CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)C1(C)C.
What is the InChIKey of (2R,3R,8R,9S)-9-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[(1S)-1-methoxy-3-phenylmethoxypropyl]-4,4,8-trimethyl-3-prop-2-enoxy-1,10-dioxaspiro[4.5]decan-7-one?
The InChIKey is RWZJCIARYSJREC-SQMQBCEHSA-N. The full InChI is InChI=1S/C43H58O7Si/c1-9-27-47-40-39(38(45-8)25-28-46-31-33-19-13-10-14-20-33)50-43(42(40,6)7)30-36(44)32(2)37(49-43)26-29-48-51(41(3,4)5,34-21-15-11-16-22-34)35-23-17-12-18-24-35/h9-24,32,37-40H,1,25-31H2,2-8H3/t32-,37-,38-,39+,40-,43?/m0/s1.
What are the key properties of (2R,3R,8R,9S)-9-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[(1S)-1-methoxy-3-phenylmethoxypropyl]-4,4,8-trimethyl-3-prop-2-enoxy-1,10-dioxaspiro[4.5]decan-7-one?
(2R,3R,8R,9S)-9-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[(1S)-1-methoxy-3-phenylmethoxypropyl]-4,4,8-trimethyl-3-prop-2-enoxy-1,10-dioxaspiro[4.5]decan-7-one has a molecular weight of 715.02 g/mol, XLogP of 7.26, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,8R,9S)-9-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[(1S)-1-methoxy-3-phenylmethoxypropyl]-4,4,8-trimethyl-3-prop-2-enoxy-1,10-dioxaspiro[4.5]decan-7-one is sourced from PubChem (CID 135055286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).