(1R,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one

C15H24N2O4Si — CID 174115398

IUPAC(1R,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]2CC1Oc1nc(=O)ccn12
InChIInChI=1S/C15H24N2O4Si/c1-15(2,3)22(4,5)19-9-11-10-8-13(20-11)17-7-6-12(18)16-14(17)21-10/h6-7,10-11,13H,8-9H2,1-5H3/t10?,11-,13-/m1/s1
InChIKeyGRCMIIHREXFDGU-LIXJUXSLSA-N
MW324.45 g/mol
LogP2.31
Rot. Bonds3

About (1R,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one

(1R,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one (PubChem CID 174115398) has the molecular formula C15H24N2O4Si and a molecular weight of 324.45 g/mol. Its IUPAC name is (1R,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one.

Molecular Properties

Compound Name(1R,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one
PubChem CID174115398
Molecular FormulaC15H24N2O4Si
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(1R,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]2CC1Oc1nc(=O)ccn12
InChIInChI=1S/C15H24N2O4Si/c1-15(2,3)22(4,5)19-9-11-10-8-13(20-11)17-7-6-12(18)16-14(17)21-10/h6-7,10-11,13H,8-9H2,1-5H3/t10?,11-,13-/m1/s1
InChIKeyGRCMIIHREXFDGU-LIXJUXSLSA-N
XLogP2.31
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1R,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one with MolForge

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Related Compounds

(1R,9R,10R)-10-(hydroxymethyl)-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one
CID 10932713
(1R,9S,10R)-10-(trityloxymethyl)-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one
CID 98478716
CID 101264549
CID 101264549
2-[[(1R,9S,10R)-5-imino-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-10-yl]methoxy]isoindole-1,3-dione
CID 20704482
1-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 557070
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-4-thiophen-2-ylpyrimidin-2-one
CID 102276677
[(1R,9S,10R)-5-benzoylimino-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-10-yl]methyl benzoate
CID 102034305
1-[(2R,4S,5S)-4-azido-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 10785196
[(2R,3S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[2-oxo-4-(prop-2-enoxycarbonylamino)pyrimidin-1-yl]oxolan-3-yl] acetate
CID 101171819
4-amino-1-[(2S,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-iodopyrimidin-2-one
CID 176808452
actinium;1-[(2R,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 59082571
1-[(2R,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-deuteriopyrimidine-2,4-dione
CID 14311092

Frequently Asked Questions

What is the IUPAC name of (1R,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one?
The IUPAC name of (1R,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one (CID 174115398) is (1R,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one.
What is the SMILES notation for (1R,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one?
The canonical SMILES for (1R,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one is CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H]2CC1Oc1nc(=O)ccn12.
What is the InChIKey of (1R,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one?
The InChIKey is GRCMIIHREXFDGU-LIXJUXSLSA-N. The full InChI is InChI=1S/C15H24N2O4Si/c1-15(2,3)22(4,5)19-9-11-10-8-13(20-11)17-7-6-12(18)16-14(17)21-10/h6-7,10-11,13H,8-9H2,1-5H3/t10?,11-,13-/m1/s1.
What are the key properties of (1R,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one?
(1R,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one has a molecular weight of 324.45 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10R)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one is sourced from PubChem (CID 174115398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).