tert-butyl-[(E,1R)-1-[(2R)-2-butyl-1,10-dioxaspiro[4.5]decan-2-yl]-3-tributylstannylprop-2-enoxy]-dimethylsilane

C33H66O3SiSn — CID 10675826

IUPACtert-butyl-[(E,1R)-1-[(2R)-2-butyl-1,10-dioxaspiro[4.5]decan-2-yl]-3-tributylstannylprop-2-enoxy]-dimethylsilane
SMILESCCCC[C@]1([C@@H](/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C)CCC2(CCCCO2)O1
InChIInChI=1S/C21H39O3Si.3C4H9.Sn/c1-8-10-13-20(15-16-21(24-20)14-11-12-17-22-21)18(9-2)23-25(6,7)19(3,4)5;3*1-3-4-2;/h2,9,18H,8,10-17H2,1,3-7H3;3*1,3-4H2,2H3;/t18-,20-,21?;;;;/m1..../s1
InChIKeyFNRFXUGSNAUCNF-XOLLPBOVSA-N
MW657.68 g/mol
LogP10.96
Rot. Bonds17

About tert-butyl-[(E,1R)-1-[(2R)-2-butyl-1,10-dioxaspiro[4.5]decan-2-yl]-3-tributylstannylprop-2-enoxy]-dimethylsilane

tert-butyl-[(E,1R)-1-[(2R)-2-butyl-1,10-dioxaspiro[4.5]decan-2-yl]-3-tributylstannylprop-2-enoxy]-dimethylsilane (PubChem CID 10675826) has the molecular formula C33H66O3SiSn and a molecular weight of 657.68 g/mol. Its IUPAC name is tert-butyl-[(E,1R)-1-[(2R)-2-butyl-1,10-dioxaspiro[4.5]decan-2-yl]-3-tributylstannylprop-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,1R)-1-[(2R)-2-butyl-1,10-dioxaspiro[4.5]decan-2-yl]-3-tributylstannylprop-2-enoxy]-dimethylsilane
PubChem CID10675826
Molecular FormulaC33H66O3SiSn
Molecular Weight657.68 g/mol
Exact Mass658.38
IUPAC Nametert-butyl-[(E,1R)-1-[(2R)-2-butyl-1,10-dioxaspiro[4.5]decan-2-yl]-3-tributylstannylprop-2-enoxy]-dimethylsilane
SMILESCCCC[C@]1([C@@H](/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C)CCC2(CCCCO2)O1
InChIInChI=1S/C21H39O3Si.3C4H9.Sn/c1-8-10-13-20(15-16-21(24-20)14-11-12-17-22-21)18(9-2)23-25(6,7)19(3,4)5;3*1-3-4-2;/h2,9,18H,8,10-17H2,1,3-7H3;3*1,3-4H2,2H3;/t18-,20-,21?;;;;/m1..../s1
InChIKeyFNRFXUGSNAUCNF-XOLLPBOVSA-N
XLogP10.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.68
LogP ≤ 510.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

[(2S)-4-[2-[(2R)-hex-5-en-2-yl]-1,3-dioxolan-2-yl]-2-methylbutoxy]-tri(propan-2-yl)silane
CID 11304093
(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-[(2S)-1-[(2R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-methyl-1,6-dioxaspiro[4.5]decan-2-yl]hept-6-en-2-yl]oxy-dimethylsilane
CID 134940113
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
(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-[(E,1R)-1-[(2R)-2-butyl-1,10-dioxaspiro[4.5]decan-2-yl]-3-iodoprop-2-enoxy]-dimethylsilane
CID 10696523
tert-butyl-dimethyl-[(4S,5S)-5-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-4-yl]oxysilane
CID 10947446
[(2S)-4-[2-[(2S)-hex-5-en-2-yl]-1,3-dioxolan-2-yl]-2-methylbutoxy]-tri(propan-2-yl)silane
CID 12164699
tert-butyl-[(2S)-1-[(2S,5R,7R,8R)-7-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-methyl-1,6-dioxaspiro[4.5]decan-2-yl]hept-6-en-2-yl]oxy-dimethylsilane
CID 16119970
tert-butyl-[2-[(2S,5S)-5-[(2R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-ethenyl-5-methyloxan-2-yl]-5-methyloxolan-2-yl]propan-2-yloxy]-dimethylsilane
CID 25210177
triethyl-[5-[(2S,3R,6S)-6-(5-iodo-2-methylidenepentyl)-2-methoxy-3-methyl-3-trimethylsilyloxyoxan-2-yl]pent-1-en-3-yloxy]silane
CID 57327492
tert-butyl-[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-5-[(4R,5S)-5-ethenyl-2,2,4-trimethyl-1,3-dioxolan-4-yl]pentan-3-yl]oxy-dimethylsilane
CID 71745224

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,1R)-1-[(2R)-2-butyl-1,10-dioxaspiro[4.5]decan-2-yl]-3-tributylstannylprop-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,1R)-1-[(2R)-2-butyl-1,10-dioxaspiro[4.5]decan-2-yl]-3-tributylstannylprop-2-enoxy]-dimethylsilane (CID 10675826) is tert-butyl-[(E,1R)-1-[(2R)-2-butyl-1,10-dioxaspiro[4.5]decan-2-yl]-3-tributylstannylprop-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,1R)-1-[(2R)-2-butyl-1,10-dioxaspiro[4.5]decan-2-yl]-3-tributylstannylprop-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,1R)-1-[(2R)-2-butyl-1,10-dioxaspiro[4.5]decan-2-yl]-3-tributylstannylprop-2-enoxy]-dimethylsilane is CCCC[C@]1([C@@H](/C=C/[Sn](CCCC)(CCCC)CCCC)O[Si](C)(C)C(C)(C)C)CCC2(CCCCO2)O1.
What is the InChIKey of tert-butyl-[(E,1R)-1-[(2R)-2-butyl-1,10-dioxaspiro[4.5]decan-2-yl]-3-tributylstannylprop-2-enoxy]-dimethylsilane?
The InChIKey is FNRFXUGSNAUCNF-XOLLPBOVSA-N. The full InChI is InChI=1S/C21H39O3Si.3C4H9.Sn/c1-8-10-13-20(15-16-21(24-20)14-11-12-17-22-21)18(9-2)23-25(6,7)19(3,4)5;3*1-3-4-2;/h2,9,18H,8,10-17H2,1,3-7H3;3*1,3-4H2,2H3;/t18-,20-,21?;;;;/m1..../s1.
What are the key properties of tert-butyl-[(E,1R)-1-[(2R)-2-butyl-1,10-dioxaspiro[4.5]decan-2-yl]-3-tributylstannylprop-2-enoxy]-dimethylsilane?
tert-butyl-[(E,1R)-1-[(2R)-2-butyl-1,10-dioxaspiro[4.5]decan-2-yl]-3-tributylstannylprop-2-enoxy]-dimethylsilane has a molecular weight of 657.68 g/mol, XLogP of 10.96, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,1R)-1-[(2R)-2-butyl-1,10-dioxaspiro[4.5]decan-2-yl]-3-tributylstannylprop-2-enoxy]-dimethylsilane is sourced from PubChem (CID 10675826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).