(1R,2S,2'S,5R,5'R,8S,9S)-5'-methyl-2'-propan-2-yl-9-trimethylsilylspiro[4,7-dioxa-6-azatricyclo[6.3.0.02,6]undecane-5,1'-cyclohexane]-3-one

C20H35NO3Si — CID 10872244

IUPAC(1R,2S,2'S,5R,5'R,8S,9S)-5'-methyl-2'-propan-2-yl-9-trimethylsilylspiro[4,7-dioxa-6-azatricyclo[6.3.0.02,6]undecane-5,1'-cyclohexane]-3-one
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]12OC(=O)[C@@H]1[C@H]3CC[C@H]([Si](C)(C)C)[C@H]3ON12
InChIInChI=1S/C20H35NO3Si/c1-12(2)15-9-7-13(3)11-20(15)21-17(19(22)23-20)14-8-10-16(18(14)24-21)25(4,5)6/h12-18H,7-11H2,1-6H3/t13-,14-,15+,16+,17+,18+,20-/m1/s1
InChIKeyWERPARMHYSOWHU-LLGVVZMMSA-N
MW365.59 g/mol
LogP4.43
Rot. Bonds2

About (1R,2S,2'S,5R,5'R,8S,9S)-5'-methyl-2'-propan-2-yl-9-trimethylsilylspiro[4,7-dioxa-6-azatricyclo[6.3.0.02,6]undecane-5,1'-cyclohexane]-3-one

(1R,2S,2'S,5R,5'R,8S,9S)-5'-methyl-2'-propan-2-yl-9-trimethylsilylspiro[4,7-dioxa-6-azatricyclo[6.3.0.02,6]undecane-5,1'-cyclohexane]-3-one (PubChem CID 10872244) has the molecular formula C20H35NO3Si and a molecular weight of 365.59 g/mol. Its IUPAC name is (1R,2S,2'S,5R,5'R,8S,9S)-5'-methyl-2'-propan-2-yl-9-trimethylsilylspiro[4,7-dioxa-6-azatricyclo[6.3.0.02,6]undecane-5,1'-cyclohexane]-3-one.

Molecular Properties

Compound Name(1R,2S,2'S,5R,5'R,8S,9S)-5'-methyl-2'-propan-2-yl-9-trimethylsilylspiro[4,7-dioxa-6-azatricyclo[6.3.0.02,6]undecane-5,1'-cyclohexane]-3-one
PubChem CID10872244
Molecular FormulaC20H35NO3Si
Molecular Weight365.59 g/mol
Exact Mass365.24
IUPAC Name(1R,2S,2'S,5R,5'R,8S,9S)-5'-methyl-2'-propan-2-yl-9-trimethylsilylspiro[4,7-dioxa-6-azatricyclo[6.3.0.02,6]undecane-5,1'-cyclohexane]-3-one
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]12OC(=O)[C@@H]1[C@H]3CC[C@H]([Si](C)(C)C)[C@H]3ON12
InChIInChI=1S/C20H35NO3Si/c1-12(2)15-9-7-13(3)11-20(15)21-17(19(22)23-20)14-8-10-16(18(14)24-21)25(4,5)6/h12-18H,7-11H2,1-6H3/t13-,14-,15+,16+,17+,18+,20-/m1/s1
InChIKeyWERPARMHYSOWHU-LLGVVZMMSA-N
XLogP4.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.59
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2S,2'S,5R,5'R,8S,9S)-5'-methyl-2'-propan-2-yl-9-trimethylsilylspiro[4,7-dioxa-6-azatricyclo[6.3.0.02,6]undecane-5,1'-cyclohexane]-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,2'S,5R,5'R,8S,9S)-5'-methyl-2'-propan-2-yl-9-trimethylsilylspiro[4,7-dioxa-6-azatricyclo[6.3.0.02,6]undecane-5,1'-cyclohexane]-3-one?
The IUPAC name of (1R,2S,2'S,5R,5'R,8S,9S)-5'-methyl-2'-propan-2-yl-9-trimethylsilylspiro[4,7-dioxa-6-azatricyclo[6.3.0.02,6]undecane-5,1'-cyclohexane]-3-one (CID 10872244) is (1R,2S,2'S,5R,5'R,8S,9S)-5'-methyl-2'-propan-2-yl-9-trimethylsilylspiro[4,7-dioxa-6-azatricyclo[6.3.0.02,6]undecane-5,1'-cyclohexane]-3-one.
What is the SMILES notation for (1R,2S,2'S,5R,5'R,8S,9S)-5'-methyl-2'-propan-2-yl-9-trimethylsilylspiro[4,7-dioxa-6-azatricyclo[6.3.0.02,6]undecane-5,1'-cyclohexane]-3-one?
The canonical SMILES for (1R,2S,2'S,5R,5'R,8S,9S)-5'-methyl-2'-propan-2-yl-9-trimethylsilylspiro[4,7-dioxa-6-azatricyclo[6.3.0.02,6]undecane-5,1'-cyclohexane]-3-one is CC(C)[C@@H]1CC[C@@H](C)C[C@@]12OC(=O)[C@@H]1[C@H]3CC[C@H]([Si](C)(C)C)[C@H]3ON12.
What is the InChIKey of (1R,2S,2'S,5R,5'R,8S,9S)-5'-methyl-2'-propan-2-yl-9-trimethylsilylspiro[4,7-dioxa-6-azatricyclo[6.3.0.02,6]undecane-5,1'-cyclohexane]-3-one?
The InChIKey is WERPARMHYSOWHU-LLGVVZMMSA-N. The full InChI is InChI=1S/C20H35NO3Si/c1-12(2)15-9-7-13(3)11-20(15)21-17(19(22)23-20)14-8-10-16(18(14)24-21)25(4,5)6/h12-18H,7-11H2,1-6H3/t13-,14-,15+,16+,17+,18+,20-/m1/s1.
What are the key properties of (1R,2S,2'S,5R,5'R,8S,9S)-5'-methyl-2'-propan-2-yl-9-trimethylsilylspiro[4,7-dioxa-6-azatricyclo[6.3.0.02,6]undecane-5,1'-cyclohexane]-3-one?
(1R,2S,2'S,5R,5'R,8S,9S)-5'-methyl-2'-propan-2-yl-9-trimethylsilylspiro[4,7-dioxa-6-azatricyclo[6.3.0.02,6]undecane-5,1'-cyclohexane]-3-one has a molecular weight of 365.59 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,2'S,5R,5'R,8S,9S)-5'-methyl-2'-propan-2-yl-9-trimethylsilylspiro[4,7-dioxa-6-azatricyclo[6.3.0.02,6]undecane-5,1'-cyclohexane]-3-one is sourced from PubChem (CID 10872244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).