methyl (1R,9S,10R)-5-oxo-10-trimethylsilyloxy-9-tri(propan-2-yl)silyloxybicyclo[4.3.1]deca-2,6-diene-2-carboxylate

C24H42O5Si2 — CID 11476859

IUPACmethyl (1R,9S,10R)-5-oxo-10-trimethylsilyloxy-9-tri(propan-2-yl)silyloxybicyclo[4.3.1]deca-2,6-diene-2-carboxylate
SMILESCOC(=O)C1=CCC(=O)C2=CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1[C@H]2O[Si](C)(C)C
InChIInChI=1S/C24H42O5Si2/c1-15(2)31(16(3)4,17(5)6)28-21-14-12-18-20(25)13-11-19(24(26)27-7)22(21)23(18)29-30(8,9)10/h11-12,15-17,21-23H,13-14H2,1-10H3/t21-,22+,23-/m0/s1
InChIKeyKQTUJSBOCMXXTE-ZRBLBEILSA-N
MW466.77 g/mol
LogP5.79
Rot. Bonds8

About methyl (1R,9S,10R)-5-oxo-10-trimethylsilyloxy-9-tri(propan-2-yl)silyloxybicyclo[4.3.1]deca-2,6-diene-2-carboxylate

methyl (1R,9S,10R)-5-oxo-10-trimethylsilyloxy-9-tri(propan-2-yl)silyloxybicyclo[4.3.1]deca-2,6-diene-2-carboxylate (PubChem CID 11476859) has the molecular formula C24H42O5Si2 and a molecular weight of 466.77 g/mol. Its IUPAC name is methyl (1R,9S,10R)-5-oxo-10-trimethylsilyloxy-9-tri(propan-2-yl)silyloxybicyclo[4.3.1]deca-2,6-diene-2-carboxylate.

Molecular Properties

Compound Namemethyl (1R,9S,10R)-5-oxo-10-trimethylsilyloxy-9-tri(propan-2-yl)silyloxybicyclo[4.3.1]deca-2,6-diene-2-carboxylate
PubChem CID11476859
Molecular FormulaC24H42O5Si2
Molecular Weight466.77 g/mol
Exact Mass466.26
IUPAC Namemethyl (1R,9S,10R)-5-oxo-10-trimethylsilyloxy-9-tri(propan-2-yl)silyloxybicyclo[4.3.1]deca-2,6-diene-2-carboxylate
SMILESCOC(=O)C1=CCC(=O)C2=CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1[C@H]2O[Si](C)(C)C
InChIInChI=1S/C24H42O5Si2/c1-15(2)31(16(3)4,17(5)6)28-21-14-12-18-20(25)13-11-19(24(26)27-7)22(21)23(18)29-30(8,9)10/h11-12,15-17,21-23H,13-14H2,1-10H3/t21-,22+,23-/m0/s1
InChIKeyKQTUJSBOCMXXTE-ZRBLBEILSA-N
XLogP5.79
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.77
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (1R,9S,10R)-5-oxo-10-trimethylsilyloxy-9-tri(propan-2-yl)silyloxybicyclo[4.3.1]deca-2,6-diene-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (1R,9S,10R)-5-oxo-10-trimethylsilyloxy-9-tri(propan-2-yl)silyloxybicyclo[4.3.1]deca-2,6-diene-2-carboxylate?
The IUPAC name of methyl (1R,9S,10R)-5-oxo-10-trimethylsilyloxy-9-tri(propan-2-yl)silyloxybicyclo[4.3.1]deca-2,6-diene-2-carboxylate (CID 11476859) is methyl (1R,9S,10R)-5-oxo-10-trimethylsilyloxy-9-tri(propan-2-yl)silyloxybicyclo[4.3.1]deca-2,6-diene-2-carboxylate.
What is the SMILES notation for methyl (1R,9S,10R)-5-oxo-10-trimethylsilyloxy-9-tri(propan-2-yl)silyloxybicyclo[4.3.1]deca-2,6-diene-2-carboxylate?
The canonical SMILES for methyl (1R,9S,10R)-5-oxo-10-trimethylsilyloxy-9-tri(propan-2-yl)silyloxybicyclo[4.3.1]deca-2,6-diene-2-carboxylate is COC(=O)C1=CCC(=O)C2=CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1[C@H]2O[Si](C)(C)C.
What is the InChIKey of methyl (1R,9S,10R)-5-oxo-10-trimethylsilyloxy-9-tri(propan-2-yl)silyloxybicyclo[4.3.1]deca-2,6-diene-2-carboxylate?
The InChIKey is KQTUJSBOCMXXTE-ZRBLBEILSA-N. The full InChI is InChI=1S/C24H42O5Si2/c1-15(2)31(16(3)4,17(5)6)28-21-14-12-18-20(25)13-11-19(24(26)27-7)22(21)23(18)29-30(8,9)10/h11-12,15-17,21-23H,13-14H2,1-10H3/t21-,22+,23-/m0/s1.
What are the key properties of methyl (1R,9S,10R)-5-oxo-10-trimethylsilyloxy-9-tri(propan-2-yl)silyloxybicyclo[4.3.1]deca-2,6-diene-2-carboxylate?
methyl (1R,9S,10R)-5-oxo-10-trimethylsilyloxy-9-tri(propan-2-yl)silyloxybicyclo[4.3.1]deca-2,6-diene-2-carboxylate has a molecular weight of 466.77 g/mol, XLogP of 5.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,9S,10R)-5-oxo-10-trimethylsilyloxy-9-tri(propan-2-yl)silyloxybicyclo[4.3.1]deca-2,6-diene-2-carboxylate is sourced from PubChem (CID 11476859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).