(2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-2-phenyl-3,6-dihydro-2H-pyran-6-amine

C19H31NO2Si — CID 11232882

IUPAC(2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-2-phenyl-3,6-dihydro-2H-pyran-6-amine
SMILESCN(C)[C@H]1C=C(O[Si](C)(C)C(C)(C)C)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C19H31NO2Si/c1-19(2,3)23(6,7)22-16-13-17(15-11-9-8-10-12-15)21-18(14-16)20(4)5/h8-12,14,17-18H,13H2,1-7H3/t17-,18+/m0/s1
InChIKeyBDALREYBDYAOQC-ZWKOTPCHSA-N
MW333.55 g/mol
LogP4.94
Rot. Bonds4

About (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-2-phenyl-3,6-dihydro-2H-pyran-6-amine

(2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-2-phenyl-3,6-dihydro-2H-pyran-6-amine (PubChem CID 11232882) has the molecular formula C19H31NO2Si and a molecular weight of 333.55 g/mol. Its IUPAC name is (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-2-phenyl-3,6-dihydro-2H-pyran-6-amine.

Molecular Properties

Compound Name(2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-2-phenyl-3,6-dihydro-2H-pyran-6-amine
PubChem CID11232882
Molecular FormulaC19H31NO2Si
Molecular Weight333.55 g/mol
Exact Mass333.21
IUPAC Name(2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-2-phenyl-3,6-dihydro-2H-pyran-6-amine
SMILESCN(C)[C@H]1C=C(O[Si](C)(C)C(C)(C)C)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C19H31NO2Si/c1-19(2,3)23(6,7)22-16-13-17(15-11-9-8-10-12-15)21-18(14-16)20(4)5/h8-12,14,17-18H,13H2,1-7H3/t17-,18+/m0/s1
InChIKeyBDALREYBDYAOQC-ZWKOTPCHSA-N
XLogP4.94
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.55
LogP ≤ 54.94
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-dimethyl-(5-phenylcyclohexen-1-yl)oxysilane
CID 11392094
tert-butyl (1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-ene-1-carboxylate
CID 10713224
dimethyl (1S,2S,3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(dimethylamino)cyclohex-4-ene-1,2-dicarboxylate
CID 10737995
methyl (1S,2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)-6-methylcyclohex-3-ene-1-carboxylate
CID 10544219
4-N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1-N,4-N-dimethyl-1-N-phenylbenzene-1,4-diamine
CID 19763310
(3S,4aS,8S,8aR)-8-(benzenesulfonyl)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,4,4a,7,8,8a-hexahydroisochromen-1-one
CID 102476896
1-[(1R,2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(dimethylamino)cyclohex-3-en-1-yl]ethanone
CID 134979554
(6R)-2-(2-bromopropan-2-yl)-6-phenyloxane
CID 102038461
(2R,3S,5R)-3-bromo-2-[(2-methylpropan-2-yl)oxy]-5-phenyloxolane
CID 23253726
trans-(9R,11R)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylidene-11-phenyl-oxacycloundecan-2-one
CID 56603590
2,6-diphenyloxan-4-one
CID 500287
(5S)-3-bromo-5-phenyl-4,5-dihydro-1,2-oxazole;(5R)-3-bromo-5-phenyl-4,5-dihydro-1,2-oxazole
CID 159139120

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-2-phenyl-3,6-dihydro-2H-pyran-6-amine?
The IUPAC name of (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-2-phenyl-3,6-dihydro-2H-pyran-6-amine (CID 11232882) is (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-2-phenyl-3,6-dihydro-2H-pyran-6-amine.
What is the SMILES notation for (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-2-phenyl-3,6-dihydro-2H-pyran-6-amine?
The canonical SMILES for (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-2-phenyl-3,6-dihydro-2H-pyran-6-amine is CN(C)[C@H]1C=C(O[Si](C)(C)C(C)(C)C)C[C@@H](c2ccccc2)O1.
What is the InChIKey of (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-2-phenyl-3,6-dihydro-2H-pyran-6-amine?
The InChIKey is BDALREYBDYAOQC-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H31NO2Si/c1-19(2,3)23(6,7)22-16-13-17(15-11-9-8-10-12-15)21-18(14-16)20(4)5/h8-12,14,17-18H,13H2,1-7H3/t17-,18+/m0/s1.
What are the key properties of (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-2-phenyl-3,6-dihydro-2H-pyran-6-amine?
(2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-2-phenyl-3,6-dihydro-2H-pyran-6-amine has a molecular weight of 333.55 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-2-phenyl-3,6-dihydro-2H-pyran-6-amine is sourced from PubChem (CID 11232882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).