[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate

C19H30O3Si — CID 177439885

IUPAC[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@@H]1OC(=O)c1ccccc1
InChIInChI=1S/C19H30O3Si/c1-19(2,3)23(4,5)22-17-14-10-9-13-16(17)21-18(20)15-11-7-6-8-12-15/h6-8,11-12,16-17H,9-10,13-14H2,1-5H3/t16-,17+/m0/s1
InChIKeyRJPFVEVFQMQHCW-DLBZAZTESA-N
MW334.53 g/mol
LogP5.18
Rot. Bonds4

About [(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate

[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate (PubChem CID 177439885) has the molecular formula C19H30O3Si and a molecular weight of 334.53 g/mol. Its IUPAC name is [(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate.

Molecular Properties

Compound Name[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate
PubChem CID177439885
Molecular FormulaC19H30O3Si
Molecular Weight334.53 g/mol
Exact Mass334.20
IUPAC Name[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@@H]1OC(=O)c1ccccc1
InChIInChI=1S/C19H30O3Si/c1-19(2,3)23(4,5)22-17-14-10-9-13-16(17)21-18(20)15-11-7-6-8-12-15/h6-8,11-12,16-17H,9-10,13-14H2,1-5H3/t16-,17+/m0/s1
InChIKeyRJPFVEVFQMQHCW-DLBZAZTESA-N
XLogP5.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.53
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
[(1S,2R)-2-hydroxycycloheptyl] benzoate
CID 56958407
[(1R,2R,4R,5R)-5-(4-bromobenzoyl)oxy-2,4-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexyl] 4-bromobenzoate
CID 139115330
[(1S,2S)-2-bromocyclooctyl] benzoate
CID 135055560
[(1S,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(6-chloro-3-pyridinyl)cyclohexyl] benzoate
CID 23241927
[(2R,3R,4R,5R)-5-benzoyloxy-4-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-2-methyloxan-3-yl] benzoate
CID 67152952
[(1R,3S,5S,6S,7R,8R,9R)-8-[tert-butyl(dimethyl)silyl]oxy-9-methylsulfonyloxy-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-yl] benzoate
CID 10994547
[(2R,3R,4S,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-iodo-6-methoxy-2-methyloxan-3-yl] benzoate
CID 11214317
1-benzoyl-4-[tert-butyl(dimethyl)silyl]oxyazocan-2-one
CID 134918210
methyl (3S,4R)-4,5-dibenzoyloxy-3-[tert-butyl(dimethyl)silyl]oxy-6-hydroxyoxane-2-carboxylate
CID 70948251
[(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl] benzoate
CID 44722542
(4-benzoyloxyoxolan-3-yl) benzoate
CID 123149129

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate?
The IUPAC name of [(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate (CID 177439885) is [(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate.
What is the SMILES notation for [(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate?
The canonical SMILES for [(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate is CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@@H]1OC(=O)c1ccccc1.
What is the InChIKey of [(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate?
The InChIKey is RJPFVEVFQMQHCW-DLBZAZTESA-N. The full InChI is InChI=1S/C19H30O3Si/c1-19(2,3)23(4,5)22-17-14-10-9-13-16(17)21-18(20)15-11-7-6-8-12-15/h6-8,11-12,16-17H,9-10,13-14H2,1-5H3/t16-,17+/m0/s1.
What are the key properties of [(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate?
[(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate has a molecular weight of 334.53 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl] benzoate is sourced from PubChem (CID 177439885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).