(1R,2S,6R,7S,8S)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione

C18H30O5Si — CID 59635943

IUPAC(1R,2S,6R,7S,8S)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESC[C@H]1C[C@@]2(C)O[C@]1(CCO[Si](C)(C)C(C)(C)C)[C@@H]1C(=O)OC(=O)[C@@H]12
InChIInChI=1S/C18H30O5Si/c1-11-10-17(5)12-13(15(20)22-14(12)19)18(11,23-17)8-9-21-24(6,7)16(2,3)4/h11-13H,8-10H2,1-7H3/t11-,12+,13-,17+,18-/m0/s1
InChIKeyWWCIWHXIXJPIGW-OTIOCJJCSA-N
MW354.52 g/mol
LogP3.28
Rot. Bonds4

About (1R,2S,6R,7S,8S)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione

(1R,2S,6R,7S,8S)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 59635943) has the molecular formula C18H30O5Si and a molecular weight of 354.52 g/mol. Its IUPAC name is (1R,2S,6R,7S,8S)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name(1R,2S,6R,7S,8S)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID59635943
Molecular FormulaC18H30O5Si
Molecular Weight354.52 g/mol
Exact Mass354.19
IUPAC Name(1R,2S,6R,7S,8S)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESC[C@H]1C[C@@]2(C)O[C@]1(CCO[Si](C)(C)C(C)(C)C)[C@@H]1C(=O)OC(=O)[C@@H]12
InChIInChI=1S/C18H30O5Si/c1-11-10-17(5)12-13(15(20)22-14(12)19)18(11,23-17)8-9-21-24(6,7)16(2,3)4/h11-13H,8-10H2,1-7H3/t11-,12+,13-,17+,18-/m0/s1
InChIKeyWWCIWHXIXJPIGW-OTIOCJJCSA-N
XLogP3.28
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.28
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,2S,6R,7S,8S)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dimethyl-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,2S,6R,7S,8S)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of (1R,2S,6R,7S,8S)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione (CID 59635943) is (1R,2S,6R,7S,8S)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for (1R,2S,6R,7S,8S)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for (1R,2S,6R,7S,8S)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione is C[C@H]1C[C@@]2(C)O[C@]1(CCO[Si](C)(C)C(C)(C)C)[C@@H]1C(=O)OC(=O)[C@@H]12.
What is the InChIKey of (1R,2S,6R,7S,8S)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is WWCIWHXIXJPIGW-OTIOCJJCSA-N. The full InChI is InChI=1S/C18H30O5Si/c1-11-10-17(5)12-13(15(20)22-14(12)19)18(11,23-17)8-9-21-24(6,7)16(2,3)4/h11-13H,8-10H2,1-7H3/t11-,12+,13-,17+,18-/m0/s1.
What are the key properties of (1R,2S,6R,7S,8S)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione?
(1R,2S,6R,7S,8S)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 354.52 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S,8S)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 59635943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).