tert-butyl-[[(2R,3R,4R,5S,6S,8R,9R,10R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1-methoxyprop-2-ynyl]-3,5,9-trimethyl-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane

C31H60O5Si2 — CID 11353609

IUPACtert-butyl-[[(2R,3R,4R,5S,6S,8R,9R,10R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1-methoxyprop-2-ynyl]-3,5,9-trimethyl-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
SMILESC#C[C@H](OC)[C@@H]1O[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C(C)C)O2)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C31H60O5Si2/c1-18-24(32-13)28-22(5)27(36-38(16,17)30(10,11)12)23(6)31(34-28)19-25(21(4)26(33-31)20(2)3)35-37(14,15)29(7,8)9/h1,20-28H,19H2,2-17H3/t21-,22-,23-,24-,25+,26+,27+,28+,31-/m0/s1
InChIKeyMKLYESSBOQHLBQ-GXKXJSKWSA-N
MW568.99 g/mol
LogP7.86
Rot. Bonds7

About tert-butyl-[[(2R,3R,4R,5S,6S,8R,9R,10R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1-methoxyprop-2-ynyl]-3,5,9-trimethyl-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane

tert-butyl-[[(2R,3R,4R,5S,6S,8R,9R,10R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1-methoxyprop-2-ynyl]-3,5,9-trimethyl-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane (PubChem CID 11353609) has the molecular formula C31H60O5Si2 and a molecular weight of 568.99 g/mol. Its IUPAC name is tert-butyl-[[(2R,3R,4R,5S,6S,8R,9R,10R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1-methoxyprop-2-ynyl]-3,5,9-trimethyl-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3R,4R,5S,6S,8R,9R,10R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1-methoxyprop-2-ynyl]-3,5,9-trimethyl-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
PubChem CID11353609
Molecular FormulaC31H60O5Si2
Molecular Weight568.99 g/mol
Exact Mass568.40
IUPAC Nametert-butyl-[[(2R,3R,4R,5S,6S,8R,9R,10R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1-methoxyprop-2-ynyl]-3,5,9-trimethyl-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
SMILESC#C[C@H](OC)[C@@H]1O[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C(C)C)O2)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C31H60O5Si2/c1-18-24(32-13)28-22(5)27(36-38(16,17)30(10,11)12)23(6)31(34-28)19-25(21(4)26(33-31)20(2)3)35-37(14,15)29(7,8)9/h1,20-28H,19H2,2-17H3/t21-,22-,23-,24-,25+,26+,27+,28+,31-/m0/s1
InChIKeyMKLYESSBOQHLBQ-GXKXJSKWSA-N
XLogP7.86
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.99
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(2R,3R,4R,5S,6S,8R,9R,10R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1-methoxyprop-2-ynyl]-3,5,9-trimethyl-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3R,4R,6S,8R,9R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,9,11-trimethyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol
CID 10962484
tert-butyl-[[(2S,3R,8R,9S)-3-butyl-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-methyl-2-(2-trimethylsilylethynyl)-1,7-dioxaspiro[5.5]undecan-3-yl]oxy]-dimethylsilane
CID 11093289
(1S)-1-[(2S,3R,4R,5S,6S,8R,9R,10R)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,9-trimethyl-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-2-yl]-3-trimethylsilylprop-2-yn-1-ol
CID 11104127
tert-butyl-[[(4S,5R,10S)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane
CID 134940741
tert-butyl-dimethyl-[[(2S,5R)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane
CID 135024962
tert-butyl-[[(2R,3S,6R,8R,9S)-3,9-dimethyl-8-[2-tri(propan-2-yl)silyloxyethyl]-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-dimethylsilane
CID 135054611
tert-butyl-dimethyl-[[(2S)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane
CID 135055285
tert-butyl-[[(4S,10S,12R)-4,13-dimethyl-8,8-di(propan-2-yl)-7,9,16,17-tetraoxa-8-silatricyclo[10.3.1.11,5]heptadecan-10-yl]methoxy]-dimethylsilane
CID 135056052
[(2R,4R,5R,6S,10R,11S)-10-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,11-dimethyl-1,7-dioxaspiro[5.5]undecan-4-yl] acetate
CID 11598781
tert-butyl-[[(2S,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-2,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
CID 11648250
Obmcahwikustfn-qqxkllmisa-
CID 21591664
tert-butyl-[[(3R,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
CID 102333490

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3R,4R,5S,6S,8R,9R,10R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1-methoxyprop-2-ynyl]-3,5,9-trimethyl-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2R,3R,4R,5S,6S,8R,9R,10R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1-methoxyprop-2-ynyl]-3,5,9-trimethyl-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane (CID 11353609) is tert-butyl-[[(2R,3R,4R,5S,6S,8R,9R,10R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1-methoxyprop-2-ynyl]-3,5,9-trimethyl-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3R,4R,5S,6S,8R,9R,10R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1-methoxyprop-2-ynyl]-3,5,9-trimethyl-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2R,3R,4R,5S,6S,8R,9R,10R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1-methoxyprop-2-ynyl]-3,5,9-trimethyl-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane is C#C[C@H](OC)[C@@H]1O[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](C(C)C)O2)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C.
What is the InChIKey of tert-butyl-[[(2R,3R,4R,5S,6S,8R,9R,10R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1-methoxyprop-2-ynyl]-3,5,9-trimethyl-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane?
The InChIKey is MKLYESSBOQHLBQ-GXKXJSKWSA-N. The full InChI is InChI=1S/C31H60O5Si2/c1-18-24(32-13)28-22(5)27(36-38(16,17)30(10,11)12)23(6)31(34-28)19-25(21(4)26(33-31)20(2)3)35-37(14,15)29(7,8)9/h1,20-28H,19H2,2-17H3/t21-,22-,23-,24-,25+,26+,27+,28+,31-/m0/s1.
What are the key properties of tert-butyl-[[(2R,3R,4R,5S,6S,8R,9R,10R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1-methoxyprop-2-ynyl]-3,5,9-trimethyl-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane?
tert-butyl-[[(2R,3R,4R,5S,6S,8R,9R,10R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1-methoxyprop-2-ynyl]-3,5,9-trimethyl-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane has a molecular weight of 568.99 g/mol, XLogP of 7.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,3R,4R,5S,6S,8R,9R,10R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1-methoxyprop-2-ynyl]-3,5,9-trimethyl-8-propan-2-yl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane is sourced from PubChem (CID 11353609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).