7-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid

C22H35NO4Si — CID 67797765

IUPAC7-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H](c2cccnc2)[C@@H]1CCC=CCCC(=O)O
InChIInChI=1S/C22H35NO4Si/c1-22(2,3)28(4,5)27-19-16-26-21(17-11-10-14-23-15-17)18(19)12-8-6-7-9-13-20(24)25/h6-7,10-11,14-15,18-19,21H,8-9,12-13,16H2,1-5H3,(H,24,25)/t18-,19-,21-/m1/s1
InChIKeyKWAOWQMVFPNGNT-SFHLNBCPSA-N
MW405.61 g/mol
LogP5.36
Rot. Bonds9

About 7-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid

7-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid (PubChem CID 67797765) has the molecular formula C22H35NO4Si and a molecular weight of 405.61 g/mol. Its IUPAC name is 7-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid.

Molecular Properties

Compound Name7-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid
PubChem CID67797765
Molecular FormulaC22H35NO4Si
Molecular Weight405.61 g/mol
Exact Mass405.23
IUPAC Name7-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H](c2cccnc2)[C@@H]1CCC=CCCC(=O)O
InChIInChI=1S/C22H35NO4Si/c1-22(2,3)28(4,5)27-19-16-26-21(17-11-10-14-23-15-17)18(19)12-8-6-7-9-13-20(24)25/h6-7,10-11,14-15,18-19,21H,8-9,12-13,16H2,1-5H3,(H,24,25)/t18-,19-,21-/m1/s1
InChIKeyKWAOWQMVFPNGNT-SFHLNBCPSA-N
XLogP5.36
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.61
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

7-[(2R,3R,4S)-4-[(4-phenylphenyl)methoxy]-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid
CID 57221466
methyl (E)-3-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]prop-2-enoate
CID 86748310
(Z)-6-[2-(2-propoxypropan-2-yl)-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid
CID 67786588
(Z)-6-[(2S,4S,5R)-2-[2-(2-methylsulfonylphenoxy)propan-2-yl]-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid
CID 10028500
(Z)-6-[(2S,4S,5R)-2-[2-(2-methylsulfanylphenoxy)propan-2-yl]-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid
CID 10411803
(Z)-6-[(2S,4S,5R)-2-[2-(2-methoxycarbonylphenoxy)propan-2-yl]-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid
CID 10322440
(Z)-6-[(2S,4S,5R)-2-(furan-2-yl)-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid
CID 10088804
methyl (E)-4-[(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenyl-1,3-dioxan-4-yl]but-2-enoate
CID 11811274
(Z)-6-[(2S,4S,5R)-2-[2-(4-fluoro-2-nitrophenoxy)propan-2-yl]-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid
CID 10005110
(Z)-6-[(2S,4S,5R)-2-[1-(2-cyano-4-fluorophenyl)-2-methylpropan-2-yl]-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid
CID 10366600
(Z)-6-[(2S,4S,5R)-2-(6-chloro-4-oxochromen-3-yl)-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid
CID 25005457
4-(3-hydroxypropyl)-5-pyridin-3-yloxolan-3-ol
CID 18953754

Frequently Asked Questions

What is the IUPAC name of 7-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid?
The IUPAC name of 7-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid (CID 67797765) is 7-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid.
What is the SMILES notation for 7-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid?
The canonical SMILES for 7-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid is CC(C)(C)[Si](C)(C)O[C@@H]1CO[C@H](c2cccnc2)[C@@H]1CCC=CCCC(=O)O.
What is the InChIKey of 7-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid?
The InChIKey is KWAOWQMVFPNGNT-SFHLNBCPSA-N. The full InChI is InChI=1S/C22H35NO4Si/c1-22(2,3)28(4,5)27-19-16-26-21(17-11-10-14-23-15-17)18(19)12-8-6-7-9-13-20(24)25/h6-7,10-11,14-15,18-19,21H,8-9,12-13,16H2,1-5H3,(H,24,25)/t18-,19-,21-/m1/s1.
What are the key properties of 7-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid?
7-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid has a molecular weight of 405.61 g/mol, XLogP of 5.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]hept-4-enoic acid is sourced from PubChem (CID 67797765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).