1-[(2R,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-hydroxy-3,6-dihydro-2H-pyridin-1-yl]ethanone

C16H29NO3Si — CID 11301397

IUPAC1-[(2R,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-hydroxy-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H](O)C=CCN1C(C)=O
InChIInChI=1S/C16H29NO3Si/c1-8-14(20-21(6,7)16(3,4)5)15-13(19)10-9-11-17(15)12(2)18/h8-10,13-15,19H,1,11H2,2-7H3/t13-,14+,15+/m0/s1
InChIKeyLQDONVNUFUTHPS-RRFJBIMHSA-N
MW311.50 g/mol
LogP2.71
Rot. Bonds4

About 1-[(2R,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-hydroxy-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[(2R,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-hydroxy-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 11301397) has the molecular formula C16H29NO3Si and a molecular weight of 311.50 g/mol. Its IUPAC name is 1-[(2R,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-hydroxy-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-hydroxy-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID11301397
Molecular FormulaC16H29NO3Si
Molecular Weight311.50 g/mol
Exact Mass311.19
IUPAC Name1-[(2R,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-hydroxy-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H](O)C=CCN1C(C)=O
InChIInChI=1S/C16H29NO3Si/c1-8-14(20-21(6,7)16(3,4)5)15-13(19)10-9-11-17(15)12(2)18/h8-10,13-15,19H,1,11H2,2-7H3/t13-,14+,15+/m0/s1
InChIKeyLQDONVNUFUTHPS-RRFJBIMHSA-N
XLogP2.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(1R)-1-cyclopropylprop-2-enoxy]-dimethylsilane
CID 67046197
(2S,3S,4R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-methyl-2-[(E)-prop-1-enyl]oxan-4-ol
CID 11472865
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
(1R,3'S,4R,5S)-3'-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]spiro[bicyclo[2.2.1]hept-2-ene-5,4'-oxolane]-2'-one
CID 101461673
(3S,4R,5R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-4-ethenyl-5-[(E)-hydroxyiminomethyl]oxolan-2-one
CID 177424845
[(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 10709515
methyl (2R)-2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-phenylmethoxycarbonyl-2,5-dihydropyrrol-2-yl]propyl]-2,5-dihydropyrrole-1-carboxylate
CID 23659182
(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-one
CID 134970294
[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone
CID 71559955
4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-one
CID 553195
methyl 1-acetyl-2,5-dihydropyrrole-2-carboxylate
CID 45086476
2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid
CID 123565815

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-hydroxy-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[(2R,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-hydroxy-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 11301397) is 1-[(2R,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-hydroxy-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-hydroxy-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[(2R,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-hydroxy-3,6-dihydro-2H-pyridin-1-yl]ethanone is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@@H](O)C=CCN1C(C)=O.
What is the InChIKey of 1-[(2R,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-hydroxy-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is LQDONVNUFUTHPS-RRFJBIMHSA-N. The full InChI is InChI=1S/C16H29NO3Si/c1-8-14(20-21(6,7)16(3,4)5)15-13(19)10-9-11-17(15)12(2)18/h8-10,13-15,19H,1,11H2,2-7H3/t13-,14+,15+/m0/s1.
What are the key properties of 1-[(2R,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-hydroxy-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[(2R,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-hydroxy-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 311.50 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]-3-hydroxy-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 11301397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).