cis-(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,4-dione

C18H36O4Si2 — CID 59130197

IUPACcis-(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,4-dione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C18H36O4Si2/c1-17(2,3)23(7,8)21-14-11-13(19)12-15(16(14)20)22-24(9,10)18(4,5)6/h14-15H,11-12H2,1-10H3/t14-,15+
InChIKeyNZIDCOJZBNPANF-GASCZTMLSA-N
MW372.65 g/mol
LogP4.70
Rot. Bonds4

About cis-(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,4-dione

cis-(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,4-dione (PubChem CID 59130197) has the molecular formula C18H36O4Si2 and a molecular weight of 372.65 g/mol. Its IUPAC name is cis-(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,4-dione.

Molecular Properties

Compound Namecis-(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,4-dione
PubChem CID59130197
Molecular FormulaC18H36O4Si2
Molecular Weight372.65 g/mol
Exact Mass372.22
IUPAC Namecis-(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,4-dione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C18H36O4Si2/c1-17(2,3)23(7,8)21-14-11-13(19)12-15(16(14)20)22-24(9,10)18(4,5)6/h14-15H,11-12H2,1-10H3/t14-,15+
InChIKeyNZIDCOJZBNPANF-GASCZTMLSA-N
XLogP4.70
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.65
LogP ≤ 54.70
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 cis-(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,4-dione?
The IUPAC name of cis-(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,4-dione (CID 59130197) is cis-(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,4-dione.
What is the SMILES notation for cis-(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,4-dione?
The canonical SMILES for cis-(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,4-dione is CC(C)(C)[Si](C)(C)O[C@H]1CC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of cis-(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,4-dione?
The InChIKey is NZIDCOJZBNPANF-GASCZTMLSA-N. The full InChI is InChI=1S/C18H36O4Si2/c1-17(2,3)23(7,8)21-14-11-13(19)12-15(16(14)20)22-24(9,10)18(4,5)6/h14-15H,11-12H2,1-10H3/t14-,15+.
What are the key properties of cis-(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,4-dione?
cis-(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,4-dione has a molecular weight of 372.65 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,4-dione is sourced from PubChem (CID 59130197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).