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

C29H56O5Si2 — CID 135053802

IUPACtert-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
SMILESC=CC[C@H]1CC[C@](C)(O[Si](C)(C)C(C)(C)C)[C@@]2(CC[C@@]3(CCC[C@@H](CO[Si](C)(C)C(C)(C)C)O3)O2)O1
InChIInChI=1S/C29H56O5Si2/c1-13-15-23-17-19-27(8,34-36(11,12)26(5,6)7)29(32-23)21-20-28(33-29)18-14-16-24(31-28)22-30-35(9,10)25(2,3)4/h13,23-24H,1,14-22H2,2-12H3/t23-,24-,27-,28+,29-/m0/s1
InChIKeyMRFWZSKACBFNJU-BPMSLUIKSA-N
MW540.93 g/mol
LogP8.32
Rot. Bonds7

About 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

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 (PubChem CID 135053802) has the molecular formula C29H56O5Si2 and a molecular weight of 540.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID135053802
Molecular FormulaC29H56O5Si2
Molecular Weight540.93 g/mol
Exact Mass540.37
IUPAC Nametert-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
SMILESC=CC[C@H]1CC[C@](C)(O[Si](C)(C)C(C)(C)C)[C@@]2(CC[C@@]3(CCC[C@@H](CO[Si](C)(C)C(C)(C)C)O3)O2)O1
InChIInChI=1S/C29H56O5Si2/c1-13-15-23-17-19-27(8,34-36(11,12)26(5,6)7)29(32-23)21-20-28(33-29)18-14-16-24(31-28)22-30-35(9,10)25(2,3)4/h13,23-24H,1,14-22H2,2-12H3/t23-,24-,27-,28+,29-/m0/s1
InChIKeyMRFWZSKACBFNJU-BPMSLUIKSA-N
XLogP8.32
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.93
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
tert-butyl-[(1S,3S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-3-ethynyl-3-triethylsilyloxyhept-6-enoxy]-dimethylsilane
CID 101154481
(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-[(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-[(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
[(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-4',6,7,11,12,17,21-heptamethyl-21-[(2R)-pent-4-en-2-yl]spiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-22-yl]oxy-tri(propan-2-yl)silane
CID 59378809
[(1R,3S,4'S,5R,6S,7S,8R,10S,11S,12S,13R,15S,17R,19R,21S,22R,24S)-4',6,7,11,12,17,21-heptamethyl-21-pent-4-en-2-ylspiro[4,9,14,20,25-pentaoxapentacyclo[13.10.0.03,13.05,10.019,24]pentacosane-8,2'-oxolane]-22-yl]oxy-tri(propan-2-yl)silane
CID 59378811
tert-butyl-dimethyl-[3-[(2R,6S,8S)-3-methyl-8-[(3S)-3-methylpent-4-enyl]-1,7-dioxaspiro[5.5]undecan-2-yl]propoxy]silane
CID 59456495
tert-butyl-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,4S,5S)-3-methoxy-4-methyl-5-prop-2-enyloxolan-2-yl]propan-2-yl]oxy-dimethylsilane
CID 89329092

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC[C@H]1CC[C@](C)(O[Si](C)(C)C(C)(C)C)[C@@]2(CC[C@@]3(CCC[C@@H](CO[Si](C)(C)C(C)(C)C)O3)O2)O1.
What is the InChIKey of 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?
The InChIKey is MRFWZSKACBFNJU-BPMSLUIKSA-N. The full InChI is InChI=1S/C29H56O5Si2/c1-13-15-23-17-19-27(8,34-36(11,12)26(5,6)7)29(32-23)21-20-28(33-29)18-14-16-24(31-28)22-30-35(9,10)25(2,3)4/h13,23-24H,1,14-22H2,2-12H3/t23-,24-,27-,28+,29-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 540.93 g/mol, XLogP of 8.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135053802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).