[(1S,3R,6S,7R,9S,12R,14S,15R)-15-[dimethyl(prop-2-enyl)silyl]oxy-7,14-bis(ethenyl)-2,8,13-trioxatricyclo[10.5.0.03,9]heptadecan-6-yl]oxy-dimethyl-prop-2-enylsilane

C28H48O5Si2 — CID 11409825

IUPAC[(1S,3R,6S,7R,9S,12R,14S,15R)-15-[dimethyl(prop-2-enyl)silyl]oxy-7,14-bis(ethenyl)-2,8,13-trioxatricyclo[10.5.0.03,9]heptadecan-6-yl]oxy-dimethyl-prop-2-enylsilane
SMILESC=CC[Si](C)(C)O[C@H]1CC[C@H]2O[C@H]3CC[C@@H](O[Si](C)(C)CC=C)[C@H](C=C)O[C@@H]3CC[C@@H]2O[C@@H]1C=C
InChIInChI=1S/C28H48O5Si2/c1-9-19-34(5,6)32-27-17-15-25-23(29-21(27)11-3)13-14-24-26(31-25)16-18-28(22(12-4)30-24)33-35(7,8)20-10-2/h9-12,21-28H,1-4,13-20H2,5-8H3/t21-,22+,23+,24-,25-,26+,27+,28-
InChIKeyXWGVWMJSQODLJO-WBSIONKGSA-N
MW520.86 g/mol
LogP6.55
Rot. Bonds10

About [(1S,3R,6S,7R,9S,12R,14S,15R)-15-[dimethyl(prop-2-enyl)silyl]oxy-7,14-bis(ethenyl)-2,8,13-trioxatricyclo[10.5.0.03,9]heptadecan-6-yl]oxy-dimethyl-prop-2-enylsilane

[(1S,3R,6S,7R,9S,12R,14S,15R)-15-[dimethyl(prop-2-enyl)silyl]oxy-7,14-bis(ethenyl)-2,8,13-trioxatricyclo[10.5.0.03,9]heptadecan-6-yl]oxy-dimethyl-prop-2-enylsilane (PubChem CID 11409825) has the molecular formula C28H48O5Si2 and a molecular weight of 520.86 g/mol. Its IUPAC name is [(1S,3R,6S,7R,9S,12R,14S,15R)-15-[dimethyl(prop-2-enyl)silyl]oxy-7,14-bis(ethenyl)-2,8,13-trioxatricyclo[10.5.0.03,9]heptadecan-6-yl]oxy-dimethyl-prop-2-enylsilane.

Molecular Properties

Compound Name[(1S,3R,6S,7R,9S,12R,14S,15R)-15-[dimethyl(prop-2-enyl)silyl]oxy-7,14-bis(ethenyl)-2,8,13-trioxatricyclo[10.5.0.03,9]heptadecan-6-yl]oxy-dimethyl-prop-2-enylsilane
PubChem CID11409825
Molecular FormulaC28H48O5Si2
Molecular Weight520.86 g/mol
Exact Mass520.30
IUPAC Name[(1S,3R,6S,7R,9S,12R,14S,15R)-15-[dimethyl(prop-2-enyl)silyl]oxy-7,14-bis(ethenyl)-2,8,13-trioxatricyclo[10.5.0.03,9]heptadecan-6-yl]oxy-dimethyl-prop-2-enylsilane
SMILESC=CC[Si](C)(C)O[C@H]1CC[C@H]2O[C@H]3CC[C@@H](O[Si](C)(C)CC=C)[C@H](C=C)O[C@@H]3CC[C@@H]2O[C@@H]1C=C
InChIInChI=1S/C28H48O5Si2/c1-9-19-34(5,6)32-27-17-15-25-23(29-21(27)11-3)13-14-24-26(31-25)16-18-28(22(12-4)30-24)33-35(7,8)20-10-2/h9-12,21-28H,1-4,13-20H2,5-8H3/t21-,22+,23+,24-,25-,26+,27+,28-
InChIKeyXWGVWMJSQODLJO-WBSIONKGSA-N
XLogP6.55
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.86
LogP ≤ 56.55
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'}

Analyze [(1S,3R,6S,7R,9S,12R,14S,15R)-15-[dimethyl(prop-2-enyl)silyl]oxy-7,14-bis(ethenyl)-2,8,13-trioxatricyclo[10.5.0.03,9]heptadecan-6-yl]oxy-dimethyl-prop-2-enylsilane with MolForge

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Related Compounds

[(4aS,6R,7S,9aR)-6-ethenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-yl]oxy-tert-butyl-dimethylsilane
CID 10380828
tert-butyl-[(2R,3S)-2-ethenyloxepan-3-yl]oxy-dimethylsilane
CID 10858107
[(2R,4aR,6R,9aS)-2-ethenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-6-yl]methoxy-tert-butyl-dimethylsilane
CID 10359041
(1S,3R,8S,10R,11R)-10-[(1E)-buta-1,3-dienyl]-13,13,15,15-tetra(propan-2-yl)-4,9,12,14,16-pentaoxa-13,15-disilatricyclo[9.5.0.03,8]hexadecane
CID 10972909
(1S,3R,6S,12R,14S,17R,19S,25R)-8,8,23,23-tetramethyl-2,7,13,18,24-pentaoxa-8,23-disilapentacyclo[15.10.0.03,14.06,12.019,25]heptacosa-10,20-diene
CID 11328767
[(4aS,6R,7S,9aR)-6-ethenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-yl]oxy-dimethyl-prop-2-enylsilane
CID 11415233
(1R,3S,6R,7S,9R,12S,14R,15S)-7,14-bis(ethenyl)-6,15-bis(prop-2-enoxy)-2,8,13-trioxatricyclo[10.5.0.03,9]heptadecane
CID 21669787

Frequently Asked Questions

What is the IUPAC name of [(1S,3R,6S,7R,9S,12R,14S,15R)-15-[dimethyl(prop-2-enyl)silyl]oxy-7,14-bis(ethenyl)-2,8,13-trioxatricyclo[10.5.0.03,9]heptadecan-6-yl]oxy-dimethyl-prop-2-enylsilane?
The IUPAC name of [(1S,3R,6S,7R,9S,12R,14S,15R)-15-[dimethyl(prop-2-enyl)silyl]oxy-7,14-bis(ethenyl)-2,8,13-trioxatricyclo[10.5.0.03,9]heptadecan-6-yl]oxy-dimethyl-prop-2-enylsilane (CID 11409825) is [(1S,3R,6S,7R,9S,12R,14S,15R)-15-[dimethyl(prop-2-enyl)silyl]oxy-7,14-bis(ethenyl)-2,8,13-trioxatricyclo[10.5.0.03,9]heptadecan-6-yl]oxy-dimethyl-prop-2-enylsilane.
What is the SMILES notation for [(1S,3R,6S,7R,9S,12R,14S,15R)-15-[dimethyl(prop-2-enyl)silyl]oxy-7,14-bis(ethenyl)-2,8,13-trioxatricyclo[10.5.0.03,9]heptadecan-6-yl]oxy-dimethyl-prop-2-enylsilane?
The canonical SMILES for [(1S,3R,6S,7R,9S,12R,14S,15R)-15-[dimethyl(prop-2-enyl)silyl]oxy-7,14-bis(ethenyl)-2,8,13-trioxatricyclo[10.5.0.03,9]heptadecan-6-yl]oxy-dimethyl-prop-2-enylsilane is C=CC[Si](C)(C)O[C@H]1CC[C@H]2O[C@H]3CC[C@@H](O[Si](C)(C)CC=C)[C@H](C=C)O[C@@H]3CC[C@@H]2O[C@@H]1C=C.
What is the InChIKey of [(1S,3R,6S,7R,9S,12R,14S,15R)-15-[dimethyl(prop-2-enyl)silyl]oxy-7,14-bis(ethenyl)-2,8,13-trioxatricyclo[10.5.0.03,9]heptadecan-6-yl]oxy-dimethyl-prop-2-enylsilane?
The InChIKey is XWGVWMJSQODLJO-WBSIONKGSA-N. The full InChI is InChI=1S/C28H48O5Si2/c1-9-19-34(5,6)32-27-17-15-25-23(29-21(27)11-3)13-14-24-26(31-25)16-18-28(22(12-4)30-24)33-35(7,8)20-10-2/h9-12,21-28H,1-4,13-20H2,5-8H3/t21-,22+,23+,24-,25-,26+,27+,28-.
What are the key properties of [(1S,3R,6S,7R,9S,12R,14S,15R)-15-[dimethyl(prop-2-enyl)silyl]oxy-7,14-bis(ethenyl)-2,8,13-trioxatricyclo[10.5.0.03,9]heptadecan-6-yl]oxy-dimethyl-prop-2-enylsilane?
[(1S,3R,6S,7R,9S,12R,14S,15R)-15-[dimethyl(prop-2-enyl)silyl]oxy-7,14-bis(ethenyl)-2,8,13-trioxatricyclo[10.5.0.03,9]heptadecan-6-yl]oxy-dimethyl-prop-2-enylsilane has a molecular weight of 520.86 g/mol, XLogP of 6.55, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,6S,7R,9S,12R,14S,15R)-15-[dimethyl(prop-2-enyl)silyl]oxy-7,14-bis(ethenyl)-2,8,13-trioxatricyclo[10.5.0.03,9]heptadecan-6-yl]oxy-dimethyl-prop-2-enylsilane is sourced from PubChem (CID 11409825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).