(1R,3S,8R,11S,13R,15S,16R,18S)-15-[tert-butyl(dimethyl)silyl]oxy-3,16-dimethyl-2,7,12,17-tetraoxatetracyclo[9.8.0.03,8.013,18]nonadecan-6-one

C23H40O6Si — CID 11212852

IUPAC(1R,3S,8R,11S,13R,15S,16R,18S)-15-[tert-butyl(dimethyl)silyl]oxy-3,16-dimethyl-2,7,12,17-tetraoxatetracyclo[9.8.0.03,8.013,18]nonadecan-6-one
SMILESC[C@H]1O[C@H]2C[C@H]3O[C@@]4(C)CCC(=O)O[C@@H]4CC[C@@H]3O[C@@H]2C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H40O6Si/c1-14-16(29-30(6,7)22(2,3)4)12-18-17(25-14)13-19-15(26-18)8-9-20-23(5,28-19)11-10-21(24)27-20/h14-20H,8-13H2,1-7H3/t14-,15+,16+,17+,18-,19-,20-,23+/m1/s1
InChIKeyCPVWZOXQIASIJF-UGZKDTGNSA-N
MW440.65 g/mol
LogP4.36
Rot. Bonds2

About (1R,3S,8R,11S,13R,15S,16R,18S)-15-[tert-butyl(dimethyl)silyl]oxy-3,16-dimethyl-2,7,12,17-tetraoxatetracyclo[9.8.0.03,8.013,18]nonadecan-6-one

(1R,3S,8R,11S,13R,15S,16R,18S)-15-[tert-butyl(dimethyl)silyl]oxy-3,16-dimethyl-2,7,12,17-tetraoxatetracyclo[9.8.0.03,8.013,18]nonadecan-6-one (PubChem CID 11212852) has the molecular formula C23H40O6Si and a molecular weight of 440.65 g/mol. Its IUPAC name is (1R,3S,8R,11S,13R,15S,16R,18S)-15-[tert-butyl(dimethyl)silyl]oxy-3,16-dimethyl-2,7,12,17-tetraoxatetracyclo[9.8.0.03,8.013,18]nonadecan-6-one.

Molecular Properties

Compound Name(1R,3S,8R,11S,13R,15S,16R,18S)-15-[tert-butyl(dimethyl)silyl]oxy-3,16-dimethyl-2,7,12,17-tetraoxatetracyclo[9.8.0.03,8.013,18]nonadecan-6-one
PubChem CID11212852
Molecular FormulaC23H40O6Si
Molecular Weight440.65 g/mol
Exact Mass440.26
IUPAC Name(1R,3S,8R,11S,13R,15S,16R,18S)-15-[tert-butyl(dimethyl)silyl]oxy-3,16-dimethyl-2,7,12,17-tetraoxatetracyclo[9.8.0.03,8.013,18]nonadecan-6-one
SMILESC[C@H]1O[C@H]2C[C@H]3O[C@@]4(C)CCC(=O)O[C@@H]4CC[C@@H]3O[C@@H]2C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H40O6Si/c1-14-16(29-30(6,7)22(2,3)4)12-18-17(25-14)13-19-15(26-18)8-9-20-23(5,28-19)11-10-21(24)27-20/h14-20H,8-13H2,1-7H3/t14-,15+,16+,17+,18-,19-,20-,23+/m1/s1
InChIKeyCPVWZOXQIASIJF-UGZKDTGNSA-N
XLogP4.36
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.65
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R,3S,8R,11S,13R,15S,16R,18S)-15-[tert-butyl(dimethyl)silyl]oxy-3,16-dimethyl-2,7,12,17-tetraoxatetracyclo[9.8.0.03,8.013,18]nonadecan-6-one with MolForge

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Related Compounds

(5S)-5-[(2R,5R,6S)-5-ethyl-6-methyl-5-triethylsilyloxyoxan-2-yl]-5-methyloxolan-2-one
CID 11013732
6-[(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]-6-methoxy-2-oxabicyclo[3.1.0]hexan-3-one
CID 134974004
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,3S,8R,11R,14R)-1,8,13,13-tetramethyl-14-triethylsilyloxy-2,7,12-trioxatricyclo[9.5.0.03,8]hexadecan-6-one
CID 135068618
(1R,3S,8R,10S,12R)-1-methyl-12-pentyl-2,7,11-trioxatricyclo[8.5.0.03,8]pentadecan-6-one
CID 101411302
(3S)-3-[(6S,7S,8aR)-2,2-ditert-butyl-7-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]butanoic acid
CID 158001175
(4S)-4-[(6S,7S,8aR)-2,2-ditert-butyl-7-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3,2]dioxasilin-6-yl]pentan-2-one
CID 158336389
methyl 2-[(1S,3R,8R,10S,12S,13R,14S)-6,6-ditert-butyl-13-[tert-butyl(dimethyl)silyl]oxy-14-methyl-2,5,7,11-tetraoxa-6-silatricyclo[8.4.0.03,8]tetradecan-12-yl]acetate
CID 158521782
(1S,3R,8R,10S,14S)-6,6-ditert-butyl-14-methyl-2,5,7,11-tetraoxa-6-silatricyclo[8.4.0.03,8]tetradecan-12-one
CID 158777005
(1S,3R,7R,9S,13S)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-triethylsilyloxyethyl]-13-methyl-2,6,10-trioxatricyclo[7.4.0.03,7]tridecan-11-one
CID 173783904
methyl 2-[(1S,3R,8R,10S,12S,14S)-6,6-ditert-butyl-13-[tert-butyl(dimethyl)silyl]oxy-14-methyl-2,5,7,11-tetraoxa-6-silatricyclo[8.4.0.03,8]tetradecan-12-yl]acetate
CID 173962120
butyl (1S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-2-oxabicyclo[4.1.0]heptane-1-carboxylate
CID 10937200

Frequently Asked Questions

What is the IUPAC name of (1R,3S,8R,11S,13R,15S,16R,18S)-15-[tert-butyl(dimethyl)silyl]oxy-3,16-dimethyl-2,7,12,17-tetraoxatetracyclo[9.8.0.03,8.013,18]nonadecan-6-one?
The IUPAC name of (1R,3S,8R,11S,13R,15S,16R,18S)-15-[tert-butyl(dimethyl)silyl]oxy-3,16-dimethyl-2,7,12,17-tetraoxatetracyclo[9.8.0.03,8.013,18]nonadecan-6-one (CID 11212852) is (1R,3S,8R,11S,13R,15S,16R,18S)-15-[tert-butyl(dimethyl)silyl]oxy-3,16-dimethyl-2,7,12,17-tetraoxatetracyclo[9.8.0.03,8.013,18]nonadecan-6-one.
What is the SMILES notation for (1R,3S,8R,11S,13R,15S,16R,18S)-15-[tert-butyl(dimethyl)silyl]oxy-3,16-dimethyl-2,7,12,17-tetraoxatetracyclo[9.8.0.03,8.013,18]nonadecan-6-one?
The canonical SMILES for (1R,3S,8R,11S,13R,15S,16R,18S)-15-[tert-butyl(dimethyl)silyl]oxy-3,16-dimethyl-2,7,12,17-tetraoxatetracyclo[9.8.0.03,8.013,18]nonadecan-6-one is C[C@H]1O[C@H]2C[C@H]3O[C@@]4(C)CCC(=O)O[C@@H]4CC[C@@H]3O[C@@H]2C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1R,3S,8R,11S,13R,15S,16R,18S)-15-[tert-butyl(dimethyl)silyl]oxy-3,16-dimethyl-2,7,12,17-tetraoxatetracyclo[9.8.0.03,8.013,18]nonadecan-6-one?
The InChIKey is CPVWZOXQIASIJF-UGZKDTGNSA-N. The full InChI is InChI=1S/C23H40O6Si/c1-14-16(29-30(6,7)22(2,3)4)12-18-17(25-14)13-19-15(26-18)8-9-20-23(5,28-19)11-10-21(24)27-20/h14-20H,8-13H2,1-7H3/t14-,15+,16+,17+,18-,19-,20-,23+/m1/s1.
What are the key properties of (1R,3S,8R,11S,13R,15S,16R,18S)-15-[tert-butyl(dimethyl)silyl]oxy-3,16-dimethyl-2,7,12,17-tetraoxatetracyclo[9.8.0.03,8.013,18]nonadecan-6-one?
(1R,3S,8R,11S,13R,15S,16R,18S)-15-[tert-butyl(dimethyl)silyl]oxy-3,16-dimethyl-2,7,12,17-tetraoxatetracyclo[9.8.0.03,8.013,18]nonadecan-6-one has a molecular weight of 440.65 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,8R,11S,13R,15S,16R,18S)-15-[tert-butyl(dimethyl)silyl]oxy-3,16-dimethyl-2,7,12,17-tetraoxatetracyclo[9.8.0.03,8.013,18]nonadecan-6-one is sourced from PubChem (CID 11212852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).