tert-butyl-[(1S)-1-[(2S,4R,6S,8S,10S)-2-[(R)-methoxymethoxy-(2-methyl-1,3-dioxolan-2-yl)methyl]-4,10-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylprop-2-enoxy]-dimethylsilane

C28H52O7Si — CID 71490156

IUPACtert-butyl-[(1S)-1-[(2S,4R,6S,8S,10S)-2-[(R)-methoxymethoxy-(2-methyl-1,3-dioxolan-2-yl)methyl]-4,10-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylprop-2-enoxy]-dimethylsilane
SMILESC=C(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C[C@H](C)C[C@]2(C[C@H](C)C[C@@H]([C@@H](OCOC)C3(C)OCCO3)O2)O1
InChIInChI=1S/C28H52O7Si/c1-19(2)24(35-36(10,11)26(5,6)7)22-14-20(3)16-28(33-22)17-21(4)15-23(34-28)25(30-18-29-9)27(8)31-12-13-32-27/h20-25H,1,12-18H2,2-11H3/t20-,21+,22-,23-,24-,25+,28-/m0/s1
InChIKeyDZLIYGZWJBFZEW-RFRUWKRBSA-N
MW528.80 g/mol
LogP6.03
Rot. Bonds9

About tert-butyl-[(1S)-1-[(2S,4R,6S,8S,10S)-2-[(R)-methoxymethoxy-(2-methyl-1,3-dioxolan-2-yl)methyl]-4,10-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylprop-2-enoxy]-dimethylsilane

tert-butyl-[(1S)-1-[(2S,4R,6S,8S,10S)-2-[(R)-methoxymethoxy-(2-methyl-1,3-dioxolan-2-yl)methyl]-4,10-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylprop-2-enoxy]-dimethylsilane (PubChem CID 71490156) has the molecular formula C28H52O7Si and a molecular weight of 528.80 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-[(2S,4R,6S,8S,10S)-2-[(R)-methoxymethoxy-(2-methyl-1,3-dioxolan-2-yl)methyl]-4,10-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylprop-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-1-[(2S,4R,6S,8S,10S)-2-[(R)-methoxymethoxy-(2-methyl-1,3-dioxolan-2-yl)methyl]-4,10-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylprop-2-enoxy]-dimethylsilane
PubChem CID71490156
Molecular FormulaC28H52O7Si
Molecular Weight528.80 g/mol
Exact Mass528.35
IUPAC Nametert-butyl-[(1S)-1-[(2S,4R,6S,8S,10S)-2-[(R)-methoxymethoxy-(2-methyl-1,3-dioxolan-2-yl)methyl]-4,10-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylprop-2-enoxy]-dimethylsilane
SMILESC=C(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C[C@H](C)C[C@]2(C[C@H](C)C[C@@H]([C@@H](OCOC)C3(C)OCCO3)O2)O1
InChIInChI=1S/C28H52O7Si/c1-19(2)24(35-36(10,11)26(5,6)7)22-14-20(3)16-28(33-22)17-21(4)15-23(34-28)25(30-18-29-9)27(8)31-12-13-32-27/h20-25H,1,12-18H2,2-11H3/t20-,21+,22-,23-,24-,25+,28-/m0/s1
InChIKeyDZLIYGZWJBFZEW-RFRUWKRBSA-N
XLogP6.03
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.80
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[[(3S,4R,5S,6S,8R,9R,10R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,9-trimethyl-2-methylidene-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
CID 11156528
(4S,5S)-5-[(3R)-3-[(2S,3S,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-2,2,4-trimethyl-3-methylideneoxasilolane
CID 134846315
tert-butyl-[2-[(4S,6S)-2,2-dimethyl-6-[[(2R,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methyl]-1,3-dioxan-4-yl]ethoxy]-dimethylsilane
CID 134850568
triethyl-[[(4R,6R,8R,10S,13R)-4-(iodomethyl)-13-methyl-10-(2-triethylsilyloxybut-3-enyl)-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane
CID 134878040
tert-butyl-[(2S)-1-[(4R)-8-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-9-methyl-1,5,7-trioxaspiro[5.5]undecan-4-yl]hept-6-en-2-yl]oxy-dimethylsilane
CID 134940115
lithium triethyl-[[(4R,6R,8R,10S,13R)-13-methyl-10-(2-methylidenepentyl)-4-[2-tri(propan-2-yl)silyloxyethyl]-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]silane
CID 134940941
tert-butyl-[[(4S,6R,8S,10R,13S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-10-prop-2-enyl-5,7,9-trioxadispiro[5.1.58.26]pentadecan-13-yl]oxy]-dimethylsilane
CID 135053802
tert-butyl-[(2R)-2-[2-[(2S,3R,4S)-3-(methoxymethoxy)-4,6-dimethylhept-6-en-2-yl]-1,3-dioxolan-2-yl]propoxy]-dimethylsilane
CID 11407780
(4S,5S)-5-[(3R)-3-[(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-2,2,4-trimethyl-3-methylideneoxasilolane
CID 10528060
tert-butyl-dimethyl-[[(1R,2R,3R,6S,8R,9S)-12-methylidene-3-prop-1-en-2-yl-5,7,10-trioxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]silane
CID 10785152
tert-butyl-dimethyl-[[(2R,3S,6R,8R,10S)-3-methyl-2-propan-2-yl-8-prop-2-enyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]silane
CID 10786170
[(2R,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5R,6R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-9-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-(2-methoxyethoxymethoxy)-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-7-yl]oxy-tert-butyl-dimethylsilane
CID 10964146

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-1-[(2S,4R,6S,8S,10S)-2-[(R)-methoxymethoxy-(2-methyl-1,3-dioxolan-2-yl)methyl]-4,10-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylprop-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-1-[(2S,4R,6S,8S,10S)-2-[(R)-methoxymethoxy-(2-methyl-1,3-dioxolan-2-yl)methyl]-4,10-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylprop-2-enoxy]-dimethylsilane (CID 71490156) is tert-butyl-[(1S)-1-[(2S,4R,6S,8S,10S)-2-[(R)-methoxymethoxy-(2-methyl-1,3-dioxolan-2-yl)methyl]-4,10-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylprop-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-1-[(2S,4R,6S,8S,10S)-2-[(R)-methoxymethoxy-(2-methyl-1,3-dioxolan-2-yl)methyl]-4,10-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylprop-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-1-[(2S,4R,6S,8S,10S)-2-[(R)-methoxymethoxy-(2-methyl-1,3-dioxolan-2-yl)methyl]-4,10-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylprop-2-enoxy]-dimethylsilane is C=C(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C[C@H](C)C[C@]2(C[C@H](C)C[C@@H]([C@@H](OCOC)C3(C)OCCO3)O2)O1.
What is the InChIKey of tert-butyl-[(1S)-1-[(2S,4R,6S,8S,10S)-2-[(R)-methoxymethoxy-(2-methyl-1,3-dioxolan-2-yl)methyl]-4,10-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylprop-2-enoxy]-dimethylsilane?
The InChIKey is DZLIYGZWJBFZEW-RFRUWKRBSA-N. The full InChI is InChI=1S/C28H52O7Si/c1-19(2)24(35-36(10,11)26(5,6)7)22-14-20(3)16-28(33-22)17-21(4)15-23(34-28)25(30-18-29-9)27(8)31-12-13-32-27/h20-25H,1,12-18H2,2-11H3/t20-,21+,22-,23-,24-,25+,28-/m0/s1.
What are the key properties of tert-butyl-[(1S)-1-[(2S,4R,6S,8S,10S)-2-[(R)-methoxymethoxy-(2-methyl-1,3-dioxolan-2-yl)methyl]-4,10-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylprop-2-enoxy]-dimethylsilane?
tert-butyl-[(1S)-1-[(2S,4R,6S,8S,10S)-2-[(R)-methoxymethoxy-(2-methyl-1,3-dioxolan-2-yl)methyl]-4,10-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylprop-2-enoxy]-dimethylsilane has a molecular weight of 528.80 g/mol, XLogP of 6.03, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-1-[(2S,4R,6S,8S,10S)-2-[(R)-methoxymethoxy-(2-methyl-1,3-dioxolan-2-yl)methyl]-4,10-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-2-methylprop-2-enoxy]-dimethylsilane is sourced from PubChem (CID 71490156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).