[(3S)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate

C16H30O5Si — CID 59890637

IUPAC[(3S)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate
SMILESCC(=O)OC1CC(O[Si](C)(C)C(C)(C)C)C[C@@H](OC(C)=O)C1
InChIInChI=1S/C16H30O5Si/c1-11(17)19-13-8-14(20-12(2)18)10-15(9-13)21-22(6,7)16(3,4)5/h13-15H,8-10H2,1-7H3/t13-,14?,15?/m0/s1
InChIKeyQTMOPNNKKFVITK-NFOMZHRRSA-N
MW330.50 g/mol
LogP3.42
Rot. Bonds4

About [(3S)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate

[(3S)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate (PubChem CID 59890637) has the molecular formula C16H30O5Si and a molecular weight of 330.50 g/mol. Its IUPAC name is [(3S)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate.

Molecular Properties

Compound Name[(3S)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate
PubChem CID59890637
Molecular FormulaC16H30O5Si
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Name[(3S)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate
SMILESCC(=O)OC1CC(O[Si](C)(C)C(C)(C)C)C[C@@H](OC(C)=O)C1
InChIInChI=1S/C16H30O5Si/c1-11(17)19-13-8-14(20-12(2)18)10-15(9-13)21-22(6,7)16(3,4)5/h13-15H,8-10H2,1-7H3/t13-,14?,15?/m0/s1
InChIKeyQTMOPNNKKFVITK-NFOMZHRRSA-N
XLogP3.42
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 53.42
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

(1R,3S,5S)-3-(tert-butyl-dimethyl-silanoxy)-5-hydroxy-cyclohex-1-yl acetate
CID 11289225
Ujlpulypemhtdp-mgpqqgthsa-
CID 23245524
Vxvxqwrxopweea-bzuaxinksa-
CID 23245523
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
[(1S,3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(oxan-2-yloxy)cyclohexyl] acetate
CID 10872406
[5-Acetyloxy-3-[tert-butyl(dimethyl)silyl]oxypentyl] acetate
CID 11001678
[3-[Tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclohexyl] acetate
CID 18459102
[3-[Tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate
CID 21335010
[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate
CID 59890638
[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxycyclohexyl] methyl carbonate
CID 69344071

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate?
The IUPAC name of [(3S)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate (CID 59890637) is [(3S)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate.
What is the SMILES notation for [(3S)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate?
The canonical SMILES for [(3S)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate is CC(=O)OC1CC(O[Si](C)(C)C(C)(C)C)C[C@@H](OC(C)=O)C1.
What is the InChIKey of [(3S)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate?
The InChIKey is QTMOPNNKKFVITK-NFOMZHRRSA-N. The full InChI is InChI=1S/C16H30O5Si/c1-11(17)19-13-8-14(20-12(2)18)10-15(9-13)21-22(6,7)16(3,4)5/h13-15H,8-10H2,1-7H3/t13-,14?,15?/m0/s1.
What are the key properties of [(3S)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate?
[(3S)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate has a molecular weight of 330.50 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxycyclohexyl] acetate is sourced from PubChem (CID 59890637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).