tert-butyl 2-[(2R,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[(3S)-3-methyl-2-oxo-4-triethylsilyloxybutyl]-4-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]acetate

C39H78O8Si3 — CID 10605154

IUPACtert-butyl 2-[(2R,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[(3S)-3-methyl-2-oxo-4-triethylsilyloxybutyl]-4-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]acetate
SMILESCC[Si](CC)(CC)OC[C@H](C)C(=O)C[C@H]1C[C@](C)(O[Si](CC)(CC)CC)C[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CC(=O)OC(C)(C)C)O2)O1
InChIInChI=1S/C39H78O8Si3/c1-17-49(18-2,19-3)42-28-30(7)34(40)24-32-26-38(14,47-50(20-4,21-5)22-6)29-39(44-32)27-33(46-48(15,16)37(11,12)13)23-31(43-39)25-35(41)45-36(8,9)10/h30-33H,17-29H2,1-16H3/t30-,31+,32-,33-,38-,39+/m0/s1
InChIKeyUUGJAAKLJRCYSO-XDICWGPTSA-N
MW759.30 g/mol
LogP10.56
Rot. Bonds18

About tert-butyl 2-[(2R,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[(3S)-3-methyl-2-oxo-4-triethylsilyloxybutyl]-4-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]acetate

tert-butyl 2-[(2R,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[(3S)-3-methyl-2-oxo-4-triethylsilyloxybutyl]-4-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]acetate (PubChem CID 10605154) has the molecular formula C39H78O8Si3 and a molecular weight of 759.30 g/mol. Its IUPAC name is tert-butyl 2-[(2R,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[(3S)-3-methyl-2-oxo-4-triethylsilyloxybutyl]-4-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2R,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[(3S)-3-methyl-2-oxo-4-triethylsilyloxybutyl]-4-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]acetate
PubChem CID10605154
Molecular FormulaC39H78O8Si3
Molecular Weight759.30 g/mol
Exact Mass758.50
IUPAC Nametert-butyl 2-[(2R,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[(3S)-3-methyl-2-oxo-4-triethylsilyloxybutyl]-4-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]acetate
SMILESCC[Si](CC)(CC)OC[C@H](C)C(=O)C[C@H]1C[C@](C)(O[Si](CC)(CC)CC)C[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CC(=O)OC(C)(C)C)O2)O1
InChIInChI=1S/C39H78O8Si3/c1-17-49(18-2,19-3)42-28-30(7)34(40)24-32-26-38(14,47-50(20-4,21-5)22-6)29-39(44-32)27-33(46-48(15,16)37(11,12)13)23-31(43-39)25-35(41)45-36(8,9)10/h30-33H,17-29H2,1-16H3/t30-,31+,32-,33-,38-,39+/m0/s1
InChIKeyUUGJAAKLJRCYSO-XDICWGPTSA-N
XLogP10.56
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.30
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[(2R,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[(3S)-3-methyl-2-oxo-4-triethylsilyloxybutyl]-4-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

2-[(4R,6R)-6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6S)-6-[[(2R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methoxycarbonyl-6-(2-methoxy-2-oxoethyl)oxan-2-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]propyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
CID 10629380
methyl (2S,3S,4S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[[(4S,6R)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(4R,6R)-6-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]propyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-methoxyoxane-3-carboxylate
CID 13995303
methyl 2-[(2R,4S,6S)-6-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(1R,2R)-2-methylcyclopropyl]ethyl]-4-[(2S,3R,4S,5R)-3,4,5-trimethoxyoxan-2-yl]oxyoxan-2-yl]acetate
CID 24862450
methyl 2-[(2S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-[(2S)-1-oxopropan-2-yl]oxan-2-yl]acetate
CID 24879906
1-[(2R,4S,5R,6R)-2-methoxy-5-methyl-6-propan-2-yl-4-triethylsilyloxyoxan-2-yl]propan-2-one
CID 102522910
Methyl (3r,5r)-5-{[t-butyl(dimethyl)silyl]-oxy}-6-[(7r)-5,5-dimethyl-4,6-dioxaspiro[2.5]oct-7-yl]-3-methylhexanoate
CID 129758728
1-[(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-propan-2-yloxan-2-yl]propan-2-one
CID 134969675
2,3-dimethyl-6-[(2S,3R)-4-methyl-3-triethylsilyloxypentan-2-yl]-4-oxooxan-2-olate
CID 134969677
3-[(4R,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-5-methyl-6-propan-2-yloxan-2-yl]butan-2-one
CID 134969856
methyl 2-[(6R,8R,8aR)-2,2-dimethyl-8-tri(propan-2-yl)silyloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-2-methoxy-3-methylcyclopropane-1-carboxylate
CID 134974030
(1S,5S,7R,9S,10S,11S,15S,17R,19S,20S)-10,20-dimethyl-5,15-bis[(1R,2R)-2-methylcyclopropyl]-9,19-bis[tri(propan-2-yl)silyloxy]-4,14,21,22-tetraoxatricyclo[15.3.1.17,11]docosane-3,13-dione
CID 11847237
methyl 2-[(2R,3S,4S,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,5-dimethyloxan-2-yl]acetate
CID 9997775

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2R,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[(3S)-3-methyl-2-oxo-4-triethylsilyloxybutyl]-4-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]acetate?
The IUPAC name of tert-butyl 2-[(2R,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[(3S)-3-methyl-2-oxo-4-triethylsilyloxybutyl]-4-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]acetate (CID 10605154) is tert-butyl 2-[(2R,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[(3S)-3-methyl-2-oxo-4-triethylsilyloxybutyl]-4-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(2R,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[(3S)-3-methyl-2-oxo-4-triethylsilyloxybutyl]-4-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]acetate?
The canonical SMILES for tert-butyl 2-[(2R,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[(3S)-3-methyl-2-oxo-4-triethylsilyloxybutyl]-4-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]acetate is CC[Si](CC)(CC)OC[C@H](C)C(=O)C[C@H]1C[C@](C)(O[Si](CC)(CC)CC)C[C@@]2(C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CC(=O)OC(C)(C)C)O2)O1.
What is the InChIKey of tert-butyl 2-[(2R,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[(3S)-3-methyl-2-oxo-4-triethylsilyloxybutyl]-4-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]acetate?
The InChIKey is UUGJAAKLJRCYSO-XDICWGPTSA-N. The full InChI is InChI=1S/C39H78O8Si3/c1-17-49(18-2,19-3)42-28-30(7)34(40)24-32-26-38(14,47-50(20-4,21-5)22-6)29-39(44-32)27-33(46-48(15,16)37(11,12)13)23-31(43-39)25-35(41)45-36(8,9)10/h30-33H,17-29H2,1-16H3/t30-,31+,32-,33-,38-,39+/m0/s1.
What are the key properties of tert-butyl 2-[(2R,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[(3S)-3-methyl-2-oxo-4-triethylsilyloxybutyl]-4-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]acetate?
tert-butyl 2-[(2R,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[(3S)-3-methyl-2-oxo-4-triethylsilyloxybutyl]-4-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]acetate has a molecular weight of 759.30 g/mol, XLogP of 10.56, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2R,4S,6S,8R,10S)-10-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[(3S)-3-methyl-2-oxo-4-triethylsilyloxybutyl]-4-triethylsilyloxy-1,7-dioxaspiro[5.5]undecan-8-yl]acetate is sourced from PubChem (CID 10605154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).