(1S,2R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,8-dimethyl-3,10-dioxatricyclo[6.3.0.02,6]undec-5-ene-4,9-dione

C17H26O5Si — CID 102489797

IUPAC(1S,2R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,8-dimethyl-3,10-dioxatricyclo[6.3.0.02,6]undec-5-ene-4,9-dione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C2=CC(=O)O[C@@H]2[C@]2(C)COC(=O)[C@]12C
InChIInChI=1S/C17H26O5Si/c1-15(2,3)23(6,7)22-13-10-8-11(18)21-12(10)16(4)9-20-14(19)17(13,16)5/h8,12-13H,9H2,1-7H3/t12-,13-,16-,17-/m0/s1
InChIKeyUVFVCJCUOLYSAN-PYTWLRIVSA-N
MW338.48 g/mol
LogP2.81
Rot. Bonds2

About (1S,2R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,8-dimethyl-3,10-dioxatricyclo[6.3.0.02,6]undec-5-ene-4,9-dione

(1S,2R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,8-dimethyl-3,10-dioxatricyclo[6.3.0.02,6]undec-5-ene-4,9-dione (PubChem CID 102489797) has the molecular formula C17H26O5Si and a molecular weight of 338.48 g/mol. Its IUPAC name is (1S,2R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,8-dimethyl-3,10-dioxatricyclo[6.3.0.02,6]undec-5-ene-4,9-dione.

Molecular Properties

Compound Name(1S,2R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,8-dimethyl-3,10-dioxatricyclo[6.3.0.02,6]undec-5-ene-4,9-dione
PubChem CID102489797
Molecular FormulaC17H26O5Si
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name(1S,2R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,8-dimethyl-3,10-dioxatricyclo[6.3.0.02,6]undec-5-ene-4,9-dione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C2=CC(=O)O[C@@H]2[C@]2(C)COC(=O)[C@]12C
InChIInChI=1S/C17H26O5Si/c1-15(2,3)23(6,7)22-13-10-8-11(18)21-12(10)16(4)9-20-14(19)17(13,16)5/h8,12-13H,9H2,1-7H3/t12-,13-,16-,17-/m0/s1
InChIKeyUVFVCJCUOLYSAN-PYTWLRIVSA-N
XLogP2.81
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3Z,3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2-methylpropan-2-yl)oxy]ethylidene]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one
CID 5470162
(1S,2S,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,8-dimethyl-2-(3-oxobutyl)-3,10-dioxatricyclo[6.3.0.02,6]undec-5-ene-4,9-dione
CID 102489796
3-(2-tert-Butoxyethylidene)-5-((tert-butyl(dimethyl)silyl)oxy)hexahydro-2H-cyclopenta[b]furan-2-one
CID 6477587
(1S,2S,7R,8S)-2-(3-bromobut-3-enyl)-7-[tert-butyl(dimethyl)silyl]oxy-1,8-dimethyl-3,10-dioxatricyclo[6.3.0.02,6]undec-5-ene-4,9-dione
CID 11442802
(1S,2R,7R,8R)-1,7,8-trimethyl-2-(3-methylbut-3-enyl)-3,10-dioxatricyclo[6.3.0.02,6]undec-5-ene-4,9-dione
CID 58681988
(1S,2S,7S,8S)-2-(3-bromobut-3-enyl)-7-[tert-butyl(dimethyl)silyl]oxy-1,8-dimethyl-3,10-dioxatricyclo[6.3.0.02,6]undec-5-ene-4,9-dione
CID 91867438
(3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2-methylpropan-2-yl)oxy]ethylidene]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one
CID 394634
5-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2-methylpropan-2-yl)oxy]ethylidene]-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one
CID 496759
(1S,2S,6S,7R,8S)-7-[tert-butyl(dimethyl)silyl]oxy-2,6,14-trimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradec-13-ene-5,10-dione
CID 11524007
(1R,2S,6R,7S,8R)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradec-12-ene-3,5,10-trione
CID 12187921
(1R,2R,6S,7R,8R)-7-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-4,11-dioxatetracyclo[6.3.3.01,8.02,6]tetradec-12-ene-3,5,10-trione
CID 12187942
[(2S)-2-[(4S,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-oxo-5,6-dihydro-4H-cyclopenta[b]furan-6a-yl]-2-methyl-3-oxobutyl] acetate
CID 101863879

Frequently Asked Questions

What is the IUPAC name of (1S,2R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,8-dimethyl-3,10-dioxatricyclo[6.3.0.02,6]undec-5-ene-4,9-dione?
The IUPAC name of (1S,2R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,8-dimethyl-3,10-dioxatricyclo[6.3.0.02,6]undec-5-ene-4,9-dione (CID 102489797) is (1S,2R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,8-dimethyl-3,10-dioxatricyclo[6.3.0.02,6]undec-5-ene-4,9-dione.
What is the SMILES notation for (1S,2R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,8-dimethyl-3,10-dioxatricyclo[6.3.0.02,6]undec-5-ene-4,9-dione?
The canonical SMILES for (1S,2R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,8-dimethyl-3,10-dioxatricyclo[6.3.0.02,6]undec-5-ene-4,9-dione is CC(C)(C)[Si](C)(C)O[C@H]1C2=CC(=O)O[C@@H]2[C@]2(C)COC(=O)[C@]12C.
What is the InChIKey of (1S,2R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,8-dimethyl-3,10-dioxatricyclo[6.3.0.02,6]undec-5-ene-4,9-dione?
The InChIKey is UVFVCJCUOLYSAN-PYTWLRIVSA-N. The full InChI is InChI=1S/C17H26O5Si/c1-15(2,3)23(6,7)22-13-10-8-11(18)21-12(10)16(4)9-20-14(19)17(13,16)5/h8,12-13H,9H2,1-7H3/t12-,13-,16-,17-/m0/s1.
What are the key properties of (1S,2R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,8-dimethyl-3,10-dioxatricyclo[6.3.0.02,6]undec-5-ene-4,9-dione?
(1S,2R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,8-dimethyl-3,10-dioxatricyclo[6.3.0.02,6]undec-5-ene-4,9-dione has a molecular weight of 338.48 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-1,8-dimethyl-3,10-dioxatricyclo[6.3.0.02,6]undec-5-ene-4,9-dione is sourced from PubChem (CID 102489797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).