trimethylsilyl 6-methylidene-17-oxo-13-trimethylsilyloxy-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-10-carboxylate

C25H40O5Si2 — CID 614154

IUPACtrimethylsilyl 6-methylidene-17-oxo-13-trimethylsilyloxy-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-10-carboxylate
SMILESC=C1CC23CC1CCC2C12CCC(O[Si](C)(C)C)C(C(=O)O1)C2C(C(=O)O[Si](C)(C)C)C3
InChIInChI=1S/C25H40O5Si2/c1-15-12-24-13-16(15)8-9-19(24)25-11-10-18(29-31(2,3)4)20(23(27)28-25)21(25)17(14-24)22(26)30-32(5,6)7/h16-21H,1,8-14H2,2-7H3
InChIKeyXWIADCBKCGXELH-UHFFFAOYSA-N
MW476.76 g/mol
LogP5.29
Rot. Bonds4

About trimethylsilyl 6-methylidene-17-oxo-13-trimethylsilyloxy-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-10-carboxylate

trimethylsilyl 6-methylidene-17-oxo-13-trimethylsilyloxy-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-10-carboxylate (PubChem CID 614154) has the molecular formula C25H40O5Si2 and a molecular weight of 476.76 g/mol. Its IUPAC name is trimethylsilyl 6-methylidene-17-oxo-13-trimethylsilyloxy-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-10-carboxylate.

Molecular Properties

Compound Nametrimethylsilyl 6-methylidene-17-oxo-13-trimethylsilyloxy-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-10-carboxylate
PubChem CID614154
Molecular FormulaC25H40O5Si2
Molecular Weight476.76 g/mol
Exact Mass476.24
IUPAC Nametrimethylsilyl 6-methylidene-17-oxo-13-trimethylsilyloxy-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-10-carboxylate
SMILESC=C1CC23CC1CCC2C12CCC(O[Si](C)(C)C)C(C(=O)O1)C2C(C(=O)O[Si](C)(C)C)C3
InChIInChI=1S/C25H40O5Si2/c1-15-12-24-13-16(15)8-9-19(24)25-11-10-18(29-31(2,3)4)20(23(27)28-25)21(25)17(14-24)22(26)30-32(5,6)7/h16-21H,1,8-14H2,2-7H3
InChIKeyXWIADCBKCGXELH-UHFFFAOYSA-N
XLogP5.29
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.76
LogP ≤ 55.29
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 6-methylidene-17-oxo-13-trimethylsilyloxy-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-10-carboxylate?
The IUPAC name of trimethylsilyl 6-methylidene-17-oxo-13-trimethylsilyloxy-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-10-carboxylate (CID 614154) is trimethylsilyl 6-methylidene-17-oxo-13-trimethylsilyloxy-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-10-carboxylate.
What is the SMILES notation for trimethylsilyl 6-methylidene-17-oxo-13-trimethylsilyloxy-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-10-carboxylate?
The canonical SMILES for trimethylsilyl 6-methylidene-17-oxo-13-trimethylsilyloxy-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-10-carboxylate is C=C1CC23CC1CCC2C12CCC(O[Si](C)(C)C)C(C(=O)O1)C2C(C(=O)O[Si](C)(C)C)C3.
What is the InChIKey of trimethylsilyl 6-methylidene-17-oxo-13-trimethylsilyloxy-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-10-carboxylate?
The InChIKey is XWIADCBKCGXELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40O5Si2/c1-15-12-24-13-16(15)8-9-19(24)25-11-10-18(29-31(2,3)4)20(23(27)28-25)21(25)17(14-24)22(26)30-32(5,6)7/h16-21H,1,8-14H2,2-7H3.
What are the key properties of trimethylsilyl 6-methylidene-17-oxo-13-trimethylsilyloxy-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-10-carboxylate?
trimethylsilyl 6-methylidene-17-oxo-13-trimethylsilyloxy-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-10-carboxylate has a molecular weight of 476.76 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 6-methylidene-17-oxo-13-trimethylsilyloxy-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-10-carboxylate is sourced from PubChem (CID 614154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).