[(3aR,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane

C13H25NO3Si — CID 11076548

IUPAC[(3aR,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCO[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)CC2=NOC[C@@H]21
InChIInChI=1S/C13H25NO3Si/c1-13(2,3)18(5,6)17-11-7-10-9(8-16-14-10)12(11)15-4/h9,11-12H,7-8H2,1-6H3/t9-,11+,12-/m0/s1
InChIKeyUNGKJGBAICDXLU-WCQGTBRESA-N
MW271.43 g/mol
LogP2.80
Rot. Bonds3

About [(3aR,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane

[(3aR,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 11076548) has the molecular formula C13H25NO3Si and a molecular weight of 271.43 g/mol. Its IUPAC name is [(3aR,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(3aR,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane
PubChem CID11076548
Molecular FormulaC13H25NO3Si
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name[(3aR,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane
SMILESCO[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)CC2=NOC[C@@H]21
InChIInChI=1S/C13H25NO3Si/c1-13(2,3)18(5,6)17-11-7-10-9(8-16-14-10)12(11)15-4/h9,11-12H,7-8H2,1-6H3/t9-,11+,12-/m0/s1
InChIKeyUNGKJGBAICDXLU-WCQGTBRESA-N
XLogP2.80
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3aS,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane
CID 10858597
6-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,7-hexahydro-2,1-benzoxazole-4,5-diol
CID 67793468
(5S,6S,6aR)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5,6,6a-tetrahydro-1H-pentalen-2-one
CID 10643655
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
3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one
CID 14034886
methyl 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]acetate
CID 11409489
3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxycyclohexan-1-one;3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-one;tetramethylsilane
CID 91070116
tert-butyl-[[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-3,4-dihydro-2H-pyrrol-4-yl]oxy]-dimethylsilane
CID 102470284
(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
(5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 15633274
2-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexan-1-amine
CID 67291290
(6S)-6-methoxy-3,3a,4,5,6,7-hexahydro-2,1-benzoxazole
CID 67477668

Frequently Asked Questions

What is the IUPAC name of [(3aR,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(3aR,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane (CID 11076548) is [(3aR,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(3aR,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(3aR,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane is CO[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)CC2=NOC[C@@H]21.
What is the InChIKey of [(3aR,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is UNGKJGBAICDXLU-WCQGTBRESA-N. The full InChI is InChI=1S/C13H25NO3Si/c1-13(2,3)18(5,6)17-11-7-10-9(8-16-14-10)12(11)15-4/h9,11-12H,7-8H2,1-6H3/t9-,11+,12-/m0/s1.
What are the key properties of [(3aR,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane?
[(3aR,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 271.43 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,4S,5R)-4-methoxy-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazol-5-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11076548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).