(1'R,5'S,6'S)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxolane-4,3'-7-oxabicyclo[4.1.0]heptane]-2,2'-dione

C14H22O6Si — CID 11278465

IUPAC(1'R,5'S,6'S)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxolane-4,3'-7-oxabicyclo[4.1.0]heptane]-2,2'-dione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC2(COC(=O)O2)C(=O)[C@@H]2O[C@H]12
InChIInChI=1S/C14H22O6Si/c1-13(2,3)21(4,5)20-8-6-14(7-17-12(16)19-14)11(15)10-9(8)18-10/h8-10H,6-7H2,1-5H3/t8-,9+,10+,14?/m0/s1
InChIKeyRFEBTZJIEVRNOK-NOWMRDAKSA-N
MW314.41 g/mol
LogP2.02
Rot. Bonds2

About (1'R,5'S,6'S)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxolane-4,3'-7-oxabicyclo[4.1.0]heptane]-2,2'-dione

(1'R,5'S,6'S)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxolane-4,3'-7-oxabicyclo[4.1.0]heptane]-2,2'-dione (PubChem CID 11278465) has the molecular formula C14H22O6Si and a molecular weight of 314.41 g/mol. Its IUPAC name is (1'R,5'S,6'S)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxolane-4,3'-7-oxabicyclo[4.1.0]heptane]-2,2'-dione.

Molecular Properties

Compound Name(1'R,5'S,6'S)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxolane-4,3'-7-oxabicyclo[4.1.0]heptane]-2,2'-dione
PubChem CID11278465
Molecular FormulaC14H22O6Si
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name(1'R,5'S,6'S)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxolane-4,3'-7-oxabicyclo[4.1.0]heptane]-2,2'-dione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC2(COC(=O)O2)C(=O)[C@@H]2O[C@H]12
InChIInChI=1S/C14H22O6Si/c1-13(2,3)21(4,5)20-8-6-14(7-17-12(16)19-14)11(15)10-9(8)18-10/h8-10H,6-7H2,1-5H3/t8-,9+,10+,14?/m0/s1
InChIKeyRFEBTZJIEVRNOK-NOWMRDAKSA-N
XLogP2.02
TPSA74.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (1'R,5'S,6'S)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxolane-4,3'-7-oxabicyclo[4.1.0]heptane]-2,2'-dione with MolForge

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Related Compounds

(1R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]heptan-2-one
CID 11333985
(1R,5R,6S)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxy-7-oxabicyclo[4.1.0]hept-3-en-2-one
CID 10543628
3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one
CID 14034886
4,4-ditert-butyl-1,3-dioxolan-2-one
CID 59942377
(1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 56946000
(1S,2R,6R,11R)-12-[tert-butyl(dimethyl)silyl]oxy-3,5,8,10,13-pentaoxatetracyclo[7.3.1.02,7.06,11]tridecan-4-one
CID 11404746
(2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5,6-dihydroxy-2-methyl-2-phenylsulfanylcyclohexan-1-one
CID 11646651
methyl (3aR,4R,5S,7S,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5-carboxylate
CID 11474353
methyl (3aS,4S,5R,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-4,5-dihydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-1,3-benzodioxole-5-carboxylate
CID 59912939
(1R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-hydroxy-6-oxabicyclo[3.2.1]octan-7-one
CID 10046713
(3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 25213394
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315

Frequently Asked Questions

What is the IUPAC name of (1'R,5'S,6'S)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxolane-4,3'-7-oxabicyclo[4.1.0]heptane]-2,2'-dione?
The IUPAC name of (1'R,5'S,6'S)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxolane-4,3'-7-oxabicyclo[4.1.0]heptane]-2,2'-dione (CID 11278465) is (1'R,5'S,6'S)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxolane-4,3'-7-oxabicyclo[4.1.0]heptane]-2,2'-dione.
What is the SMILES notation for (1'R,5'S,6'S)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxolane-4,3'-7-oxabicyclo[4.1.0]heptane]-2,2'-dione?
The canonical SMILES for (1'R,5'S,6'S)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxolane-4,3'-7-oxabicyclo[4.1.0]heptane]-2,2'-dione is CC(C)(C)[Si](C)(C)O[C@H]1CC2(COC(=O)O2)C(=O)[C@@H]2O[C@H]12.
What is the InChIKey of (1'R,5'S,6'S)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxolane-4,3'-7-oxabicyclo[4.1.0]heptane]-2,2'-dione?
The InChIKey is RFEBTZJIEVRNOK-NOWMRDAKSA-N. The full InChI is InChI=1S/C14H22O6Si/c1-13(2,3)21(4,5)20-8-6-14(7-17-12(16)19-14)11(15)10-9(8)18-10/h8-10H,6-7H2,1-5H3/t8-,9+,10+,14?/m0/s1.
What are the key properties of (1'R,5'S,6'S)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxolane-4,3'-7-oxabicyclo[4.1.0]heptane]-2,2'-dione?
(1'R,5'S,6'S)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxolane-4,3'-7-oxabicyclo[4.1.0]heptane]-2,2'-dione has a molecular weight of 314.41 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,5'S,6'S)-5'-[tert-butyl(dimethyl)silyl]oxyspiro[1,3-dioxolane-4,3'-7-oxabicyclo[4.1.0]heptane]-2,2'-dione is sourced from PubChem (CID 11278465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).