[(1R,3R,5R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate

C19H36O5Si — CID 23245523

IUPAC[(1R,3R,5R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate
SMILESCC(=O)O[C@@H]1C[C@@H](OC(=O)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H36O5Si/c1-13(20)22-14-10-15(23-17(21)18(2,3)4)12-16(11-14)24-25(8,9)19(5,6)7/h14-16H,10-12H2,1-9H3/t14-,15-,16-/m1/s1
InChIKeyVXVXQWRXOPWEEA-BZUAXINKSA-N
MW372.58 g/mol
LogP4.45
Rot. Bonds4

About [(1R,3R,5R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate

[(1R,3R,5R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate (PubChem CID 23245523) has the molecular formula C19H36O5Si and a molecular weight of 372.58 g/mol. Its IUPAC name is [(1R,3R,5R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(1R,3R,5R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate
PubChem CID23245523
Molecular FormulaC19H36O5Si
Molecular Weight372.58 g/mol
Exact Mass372.23
IUPAC Name[(1R,3R,5R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate
SMILESCC(=O)O[C@@H]1C[C@@H](OC(=O)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C19H36O5Si/c1-13(20)22-14-10-15(23-17(21)18(2,3)4)12-16(11-14)24-25(8,9)19(5,6)7/h14-16H,10-12H2,1-9H3/t14-,15-,16-/m1/s1
InChIKeyVXVXQWRXOPWEEA-BZUAXINKSA-N
XLogP4.45
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(1R,3R,5R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate with MolForge

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Related Compounds

(1R,3S,5S)-3-(tert-butyl-dimethyl-silanoxy)-5-hydroxy-cyclohex-1-yl acetate
CID 11289225
Ujlpulypemhtdp-mgpqqgthsa-
CID 23245524
(1S,3S)-2,2-dimethyl-propionic acid 3-(tert-butyl-dimethyl-silanyloxy)-5-oxo-cyclohexyl ester
CID 23245525
Qtmopnnkkfvitk-ziagygmssa-
CID 23245526
[(1S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate
CID 10266144
[(1R,3S)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate
CID 10314601
[3-[Tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate
CID 18459102
[3-[Tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate
CID 21335010
[(3S)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate
CID 59890637
[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate
CID 59890638
(1R,3S,5R)-2,2-dimethyl-propionic acid 3-(tert-butyl-dimethyl-silanyloxy)-5-hydroxy-cyclohexyl ester
CID 69853038
[3-[Tert-butyl(dimethyl)silyl]oxy-5-oxocyclohexyl] 2,2-dimethylpropanoate
CID 69853323

Frequently Asked Questions

What is the IUPAC name of [(1R,3R,5R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate?
The IUPAC name of [(1R,3R,5R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate (CID 23245523) is [(1R,3R,5R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(1R,3R,5R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(1R,3R,5R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate is CC(=O)O[C@@H]1C[C@@H](OC(=O)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of [(1R,3R,5R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate?
The InChIKey is VXVXQWRXOPWEEA-BZUAXINKSA-N. The full InChI is InChI=1S/C19H36O5Si/c1-13(20)22-14-10-15(23-17(21)18(2,3)4)12-16(11-14)24-25(8,9)19(5,6)7/h14-16H,10-12H2,1-9H3/t14-,15-,16-/m1/s1.
What are the key properties of [(1R,3R,5R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate?
[(1R,3R,5R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate has a molecular weight of 372.58 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R,5R)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 23245523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).