methyl (1S,3R,6S,8R,10S)-6,10-dimethyl-2-oxo-3-trimethylsilyloxytricyclo[6.3.0.03,6]undecane-10-carboxylate

C18H30O4Si — CID 99771721

IUPACmethyl (1S,3R,6S,8R,10S)-6,10-dimethyl-2-oxo-3-trimethylsilyloxytricyclo[6.3.0.03,6]undecane-10-carboxylate
SMILESCOC(=O)[C@@]1(C)C[C@H]2C[C@]3(C)CC[C@]3(O[Si](C)(C)C)C(=O)[C@H]2C1
InChIInChI=1S/C18H30O4Si/c1-16(15(20)21-3)9-12-10-17(2)7-8-18(17,22-23(4,5)6)14(19)13(12)11-16/h12-13H,7-11H2,1-6H3/t12-,13-,16-,17-,18-/m0/s1
InChIKeyUHTAOJBXCUOPDZ-IGISWZIWSA-N
MW338.52 g/mol
LogP3.56
Rot. Bonds3

About methyl (1S,3R,6S,8R,10S)-6,10-dimethyl-2-oxo-3-trimethylsilyloxytricyclo[6.3.0.03,6]undecane-10-carboxylate

methyl (1S,3R,6S,8R,10S)-6,10-dimethyl-2-oxo-3-trimethylsilyloxytricyclo[6.3.0.03,6]undecane-10-carboxylate (PubChem CID 99771721) has the molecular formula C18H30O4Si and a molecular weight of 338.52 g/mol. Its IUPAC name is methyl (1S,3R,6S,8R,10S)-6,10-dimethyl-2-oxo-3-trimethylsilyloxytricyclo[6.3.0.03,6]undecane-10-carboxylate.

Molecular Properties

Compound Namemethyl (1S,3R,6S,8R,10S)-6,10-dimethyl-2-oxo-3-trimethylsilyloxytricyclo[6.3.0.03,6]undecane-10-carboxylate
PubChem CID99771721
Molecular FormulaC18H30O4Si
Molecular Weight338.52 g/mol
Exact Mass338.19
IUPAC Namemethyl (1S,3R,6S,8R,10S)-6,10-dimethyl-2-oxo-3-trimethylsilyloxytricyclo[6.3.0.03,6]undecane-10-carboxylate
SMILESCOC(=O)[C@@]1(C)C[C@H]2C[C@]3(C)CC[C@]3(O[Si](C)(C)C)C(=O)[C@H]2C1
InChIInChI=1S/C18H30O4Si/c1-16(15(20)21-3)9-12-10-17(2)7-8-18(17,22-23(4,5)6)14(19)13(12)11-16/h12-13H,7-11H2,1-6H3/t12-,13-,16-,17-,18-/m0/s1
InChIKeyUHTAOJBXCUOPDZ-IGISWZIWSA-N
XLogP3.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (1S,3R,6S,8R,10S)-6,10-dimethyl-2-oxo-3-trimethylsilyloxytricyclo[6.3.0.03,6]undecane-10-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (1S,3R,6S,8R,10S)-6,10-dimethyl-2-oxo-3-trimethylsilyloxytricyclo[6.3.0.03,6]undecane-10-carboxylate?
The IUPAC name of methyl (1S,3R,6S,8R,10S)-6,10-dimethyl-2-oxo-3-trimethylsilyloxytricyclo[6.3.0.03,6]undecane-10-carboxylate (CID 99771721) is methyl (1S,3R,6S,8R,10S)-6,10-dimethyl-2-oxo-3-trimethylsilyloxytricyclo[6.3.0.03,6]undecane-10-carboxylate.
What is the SMILES notation for methyl (1S,3R,6S,8R,10S)-6,10-dimethyl-2-oxo-3-trimethylsilyloxytricyclo[6.3.0.03,6]undecane-10-carboxylate?
The canonical SMILES for methyl (1S,3R,6S,8R,10S)-6,10-dimethyl-2-oxo-3-trimethylsilyloxytricyclo[6.3.0.03,6]undecane-10-carboxylate is COC(=O)[C@@]1(C)C[C@H]2C[C@]3(C)CC[C@]3(O[Si](C)(C)C)C(=O)[C@H]2C1.
What is the InChIKey of methyl (1S,3R,6S,8R,10S)-6,10-dimethyl-2-oxo-3-trimethylsilyloxytricyclo[6.3.0.03,6]undecane-10-carboxylate?
The InChIKey is UHTAOJBXCUOPDZ-IGISWZIWSA-N. The full InChI is InChI=1S/C18H30O4Si/c1-16(15(20)21-3)9-12-10-17(2)7-8-18(17,22-23(4,5)6)14(19)13(12)11-16/h12-13H,7-11H2,1-6H3/t12-,13-,16-,17-,18-/m0/s1.
What are the key properties of methyl (1S,3R,6S,8R,10S)-6,10-dimethyl-2-oxo-3-trimethylsilyloxytricyclo[6.3.0.03,6]undecane-10-carboxylate?
methyl (1S,3R,6S,8R,10S)-6,10-dimethyl-2-oxo-3-trimethylsilyloxytricyclo[6.3.0.03,6]undecane-10-carboxylate has a molecular weight of 338.52 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,3R,6S,8R,10S)-6,10-dimethyl-2-oxo-3-trimethylsilyloxytricyclo[6.3.0.03,6]undecane-10-carboxylate is sourced from PubChem (CID 99771721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).