tert-butyl-dimethyl-[[(1S,3R,6R,8R,10S)-12-methylidene-6-phenyl-2,5,7,11-tetraoxatricyclo[8.5.0.03,8]pentadec-13-en-9-yl]oxy]silane

C24H34O5Si — CID 101220698

IUPACtert-butyl-dimethyl-[[(1S,3R,6R,8R,10S)-12-methylidene-6-phenyl-2,5,7,11-tetraoxatricyclo[8.5.0.03,8]pentadec-13-en-9-yl]oxy]silane
SMILESC=C1C=CC[C@@H]2O[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3C(O[Si](C)(C)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C24H34O5Si/c1-16-11-10-14-18-20(26-16)22(29-30(5,6)24(2,3)4)21-19(27-18)15-25-23(28-21)17-12-8-7-9-13-17/h7-13,18-23H,1,14-15H2,2-6H3/t18-,19+,20-,21+,22?,23+/m0/s1
InChIKeyNGRVMFSEKSRCHH-WUIYMGGXSA-N
MW430.62 g/mol
LogP5.12
Rot. Bonds3

About tert-butyl-dimethyl-[[(1S,3R,6R,8R,10S)-12-methylidene-6-phenyl-2,5,7,11-tetraoxatricyclo[8.5.0.03,8]pentadec-13-en-9-yl]oxy]silane

tert-butyl-dimethyl-[[(1S,3R,6R,8R,10S)-12-methylidene-6-phenyl-2,5,7,11-tetraoxatricyclo[8.5.0.03,8]pentadec-13-en-9-yl]oxy]silane (PubChem CID 101220698) has the molecular formula C24H34O5Si and a molecular weight of 430.62 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,3R,6R,8R,10S)-12-methylidene-6-phenyl-2,5,7,11-tetraoxatricyclo[8.5.0.03,8]pentadec-13-en-9-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,3R,6R,8R,10S)-12-methylidene-6-phenyl-2,5,7,11-tetraoxatricyclo[8.5.0.03,8]pentadec-13-en-9-yl]oxy]silane
PubChem CID101220698
Molecular FormulaC24H34O5Si
Molecular Weight430.62 g/mol
Exact Mass430.22
IUPAC Nametert-butyl-dimethyl-[[(1S,3R,6R,8R,10S)-12-methylidene-6-phenyl-2,5,7,11-tetraoxatricyclo[8.5.0.03,8]pentadec-13-en-9-yl]oxy]silane
SMILESC=C1C=CC[C@@H]2O[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3C(O[Si](C)(C)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C24H34O5Si/c1-16-11-10-14-18-20(26-16)22(29-30(5,6)24(2,3)4)21-19(27-18)15-25-23(28-21)17-12-8-7-9-13-17/h7-13,18-23H,1,14-15H2,2-6H3/t18-,19+,20-,21+,22?,23+/m0/s1
InChIKeyNGRVMFSEKSRCHH-WUIYMGGXSA-N
XLogP5.12
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.62
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[[(1S,3R,6R,8R,10S)-12-methylidene-6-phenyl-2,5,7,11-tetraoxatricyclo[8.5.0.03,8]pentadec-13-en-9-yl]oxy]silane with MolForge

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Launch Full Analysis

Related Compounds

(2R,4aR,6S,7R,8S,8aR)-7,8-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol
CID 11283362
[(6R,8S,8aS)-6,8-dimethyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy-tert-butyl-dimethylsilane
CID 157142781
(2R,4aR,6S,7S,8R,8aR)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-ol
CID 11101354
(6S,8S,8aS)-7-[tert-butyl(dimethyl)silyl]oxy-6-methyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 157295900
(4aR,6R,7R,8R,8aS)-6-azido-8-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 100931385
(2R,4aR,6S,7R,8R,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-6-ethylsulfanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 11539167
N-[(4aR,7R,8R,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 169432577
[(4aR,6S,7R,8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate
CID 101266961
N-[(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-oxo-5-[(4R)-2-phenyl-1,3-dioxolan-4-yl]oxolan-3-yl]acetamide
CID 134971356
[(4aR,6R,7S,8S,8aR)-2-phenyl-6-phenylsulfanyl-7-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane
CID 102349961
[(2R,4aS,6R,7S,8R,8aS)-8-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 2,2-dimethylpropanoate
CID 102377692
(1R,2R,4R,7S,9R,12R)-4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,7]tridecane
CID 15481441

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,3R,6R,8R,10S)-12-methylidene-6-phenyl-2,5,7,11-tetraoxatricyclo[8.5.0.03,8]pentadec-13-en-9-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,3R,6R,8R,10S)-12-methylidene-6-phenyl-2,5,7,11-tetraoxatricyclo[8.5.0.03,8]pentadec-13-en-9-yl]oxy]silane (CID 101220698) is tert-butyl-dimethyl-[[(1S,3R,6R,8R,10S)-12-methylidene-6-phenyl-2,5,7,11-tetraoxatricyclo[8.5.0.03,8]pentadec-13-en-9-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,3R,6R,8R,10S)-12-methylidene-6-phenyl-2,5,7,11-tetraoxatricyclo[8.5.0.03,8]pentadec-13-en-9-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,3R,6R,8R,10S)-12-methylidene-6-phenyl-2,5,7,11-tetraoxatricyclo[8.5.0.03,8]pentadec-13-en-9-yl]oxy]silane is C=C1C=CC[C@@H]2O[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3C(O[Si](C)(C)C(C)(C)C)[C@H]2O1.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,3R,6R,8R,10S)-12-methylidene-6-phenyl-2,5,7,11-tetraoxatricyclo[8.5.0.03,8]pentadec-13-en-9-yl]oxy]silane?
The InChIKey is NGRVMFSEKSRCHH-WUIYMGGXSA-N. The full InChI is InChI=1S/C24H34O5Si/c1-16-11-10-14-18-20(26-16)22(29-30(5,6)24(2,3)4)21-19(27-18)15-25-23(28-21)17-12-8-7-9-13-17/h7-13,18-23H,1,14-15H2,2-6H3/t18-,19+,20-,21+,22?,23+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,3R,6R,8R,10S)-12-methylidene-6-phenyl-2,5,7,11-tetraoxatricyclo[8.5.0.03,8]pentadec-13-en-9-yl]oxy]silane?
tert-butyl-dimethyl-[[(1S,3R,6R,8R,10S)-12-methylidene-6-phenyl-2,5,7,11-tetraoxatricyclo[8.5.0.03,8]pentadec-13-en-9-yl]oxy]silane has a molecular weight of 430.62 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,3R,6R,8R,10S)-12-methylidene-6-phenyl-2,5,7,11-tetraoxatricyclo[8.5.0.03,8]pentadec-13-en-9-yl]oxy]silane is sourced from PubChem (CID 101220698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).