(1S,2R,6R,8S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecan-9-one

C17H30O6Si — CID 101194126

IUPAC(1S,2R,6R,8S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecan-9-one
SMILESCC1(C)O[C@H]2O[C@@H]3C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)CO[C@H]3[C@H]2O1
InChIInChI=1S/C17H30O6Si/c1-16(2,3)24(6,7)20-9-10-8-19-13-12(11(10)18)21-15-14(13)22-17(4,5)23-15/h10,12-15H,8-9H2,1-7H3/t10-,12+,13+,14+,15+/m0/s1
InChIKeyHLMAGGAKNASJAI-URWOTSEESA-N
MW358.51 g/mol
LogP2.47
Rot. Bonds3

About (1S,2R,6R,8S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecan-9-one

(1S,2R,6R,8S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecan-9-one (PubChem CID 101194126) has the molecular formula C17H30O6Si and a molecular weight of 358.51 g/mol. Its IUPAC name is (1S,2R,6R,8S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecan-9-one.

Molecular Properties

Compound Name(1S,2R,6R,8S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecan-9-one
PubChem CID101194126
Molecular FormulaC17H30O6Si
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name(1S,2R,6R,8S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecan-9-one
SMILESCC1(C)O[C@H]2O[C@@H]3C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)CO[C@H]3[C@H]2O1
InChIInChI=1S/C17H30O6Si/c1-16(2,3)24(6,7)20-9-10-8-19-13-12(11(10)18)21-15-14(13)22-17(4,5)23-15/h10,12-15H,8-9H2,1-7H3/t10-,12+,13+,14+,15+/m0/s1
InChIKeyHLMAGGAKNASJAI-URWOTSEESA-N
XLogP2.47
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1S,2R,6R,8S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecan-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,8S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecan-9-one?
The IUPAC name of (1S,2R,6R,8S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecan-9-one (CID 101194126) is (1S,2R,6R,8S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecan-9-one.
What is the SMILES notation for (1S,2R,6R,8S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecan-9-one?
The canonical SMILES for (1S,2R,6R,8S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecan-9-one is CC1(C)O[C@H]2O[C@@H]3C(=O)[C@H](CO[Si](C)(C)C(C)(C)C)CO[C@H]3[C@H]2O1.
What is the InChIKey of (1S,2R,6R,8S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecan-9-one?
The InChIKey is HLMAGGAKNASJAI-URWOTSEESA-N. The full InChI is InChI=1S/C17H30O6Si/c1-16(2,3)24(6,7)20-9-10-8-19-13-12(11(10)18)21-15-14(13)22-17(4,5)23-15/h10,12-15H,8-9H2,1-7H3/t10-,12+,13+,14+,15+/m0/s1.
What are the key properties of (1S,2R,6R,8S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecan-9-one?
(1S,2R,6R,8S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecan-9-one has a molecular weight of 358.51 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,8S,10S)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecan-9-one is sourced from PubChem (CID 101194126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).