(1R,2R,6S,7R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione

C17H28O5Si — CID 87491113

IUPAC(1R,2R,6S,7R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCC(C)(C)[Si](C)(C)OCC[C@@]12CC[C@@](C)(O1)[C@H]1C(=O)OC(=O)[C@H]12
InChIInChI=1S/C17H28O5Si/c1-15(2,3)23(5,6)20-10-9-17-8-7-16(4,22-17)11-12(17)14(19)21-13(11)18/h11-12H,7-10H2,1-6H3/t11-,12+,16-,17-/m1/s1
InChIKeyGTNPABPNBWQLHD-CZAMWMTLSA-N
MW340.49 g/mol
LogP3.04
Rot. Bonds4

About (1R,2R,6S,7R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione

(1R,2R,6S,7R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 87491113) has the molecular formula C17H28O5Si and a molecular weight of 340.49 g/mol. Its IUPAC name is (1R,2R,6S,7R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name(1R,2R,6S,7R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID87491113
Molecular FormulaC17H28O5Si
Molecular Weight340.49 g/mol
Exact Mass340.17
IUPAC Name(1R,2R,6S,7R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCC(C)(C)[Si](C)(C)OCC[C@@]12CC[C@@](C)(O1)[C@H]1C(=O)OC(=O)[C@H]12
InChIInChI=1S/C17H28O5Si/c1-15(2,3)23(5,6)20-10-9-17-8-7-16(4,22-17)11-12(17)14(19)21-13(11)18/h11-12H,7-10H2,1-6H3/t11-,12+,16-,17-/m1/s1
InChIKeyGTNPABPNBWQLHD-CZAMWMTLSA-N
XLogP3.04
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (1R,2R,6S,7R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S,7R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of (1R,2R,6S,7R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione (CID 87491113) is (1R,2R,6S,7R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for (1R,2R,6S,7R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for (1R,2R,6S,7R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione is CC(C)(C)[Si](C)(C)OCC[C@@]12CC[C@@](C)(O1)[C@H]1C(=O)OC(=O)[C@H]12.
What is the InChIKey of (1R,2R,6S,7R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is GTNPABPNBWQLHD-CZAMWMTLSA-N. The full InChI is InChI=1S/C17H28O5Si/c1-15(2,3)23(5,6)20-10-9-17-8-7-16(4,22-17)11-12(17)14(19)21-13(11)18/h11-12H,7-10H2,1-6H3/t11-,12+,16-,17-/m1/s1.
What are the key properties of (1R,2R,6S,7R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione?
(1R,2R,6S,7R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 340.49 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S,7R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7-methyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 87491113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).