(1R,2S,6S,7S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one

C15H26O4Si — CID 18648427

IUPAC(1R,2S,6S,7S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
SMILESCC(C)(C)[Si](C)(C)OC[C@]12CC[C@H](O1)[C@@H]1COC(=O)[C@@H]12
InChIInChI=1S/C15H26O4Si/c1-14(2,3)20(4,5)18-9-15-7-6-11(19-15)10-8-17-13(16)12(10)15/h10-12H,6-9H2,1-5H3/t10-,11-,12+,15-/m0/s1
InChIKeyJVRBQUINUWVMNR-OHTBPHCPSA-N
MW298.45 g/mol
LogP2.73
Rot. Bonds3

About (1R,2S,6S,7S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one

(1R,2S,6S,7S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one (PubChem CID 18648427) has the molecular formula C15H26O4Si and a molecular weight of 298.45 g/mol. Its IUPAC name is (1R,2S,6S,7S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one.

Molecular Properties

Compound Name(1R,2S,6S,7S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
PubChem CID18648427
Molecular FormulaC15H26O4Si
Molecular Weight298.45 g/mol
Exact Mass298.16
IUPAC Name(1R,2S,6S,7S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
SMILESCC(C)(C)[Si](C)(C)OC[C@]12CC[C@H](O1)[C@@H]1COC(=O)[C@@H]12
InChIInChI=1S/C15H26O4Si/c1-14(2,3)20(4,5)18-9-15-7-6-11(19-15)10-8-17-13(16)12(10)15/h10-12H,6-9H2,1-5H3/t10-,11-,12+,15-/m0/s1
InChIKeyJVRBQUINUWVMNR-OHTBPHCPSA-N
XLogP2.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,6S,7S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one?
The IUPAC name of (1R,2S,6S,7S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one (CID 18648427) is (1R,2S,6S,7S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one.
What is the SMILES notation for (1R,2S,6S,7S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one?
The canonical SMILES for (1R,2S,6S,7S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one is CC(C)(C)[Si](C)(C)OC[C@]12CC[C@H](O1)[C@@H]1COC(=O)[C@@H]12.
What is the InChIKey of (1R,2S,6S,7S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one?
The InChIKey is JVRBQUINUWVMNR-OHTBPHCPSA-N. The full InChI is InChI=1S/C15H26O4Si/c1-14(2,3)20(4,5)18-9-15-7-6-11(19-15)10-8-17-13(16)12(10)15/h10-12H,6-9H2,1-5H3/t10-,11-,12+,15-/m0/s1.
What are the key properties of (1R,2S,6S,7S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one?
(1R,2S,6S,7S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one has a molecular weight of 298.45 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6S,7S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one is sourced from PubChem (CID 18648427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).