methyl (E)-3-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]prop-2-enoate

C19H29NO4Si — CID 86748310

IUPACmethyl (E)-3-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]prop-2-enoate
SMILESCOC(=O)/C=C/[C@H]1[C@@H](c2cccnc2)OC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H29NO4Si/c1-19(2,3)25(5,6)24-16-13-23-18(14-8-7-11-20-12-14)15(16)9-10-17(21)22-4/h7-12,15-16,18H,13H2,1-6H3/b10-9+/t15-,16-,18-/m1/s1
InChIKeyMZLVQULIGQMOJC-HFHBSVTDSA-N
MW363.53 g/mol
LogP3.89
Rot. Bonds5

About methyl (E)-3-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]prop-2-enoate

methyl (E)-3-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]prop-2-enoate (PubChem CID 86748310) has the molecular formula C19H29NO4Si and a molecular weight of 363.53 g/mol. Its IUPAC name is methyl (E)-3-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]prop-2-enoate
PubChem CID86748310
Molecular FormulaC19H29NO4Si
Molecular Weight363.53 g/mol
Exact Mass363.19
IUPAC Namemethyl (E)-3-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]prop-2-enoate
SMILESCOC(=O)/C=C/[C@H]1[C@@H](c2cccnc2)OC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H29NO4Si/c1-19(2,3)25(5,6)24-16-13-23-18(14-8-7-11-20-12-14)15(16)9-10-17(21)22-4/h7-12,15-16,18H,13H2,1-6H3/b10-9+/t15-,16-,18-/m1/s1
InChIKeyMZLVQULIGQMOJC-HFHBSVTDSA-N
XLogP3.89
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]prop-2-enoate (CID 86748310) is methyl (E)-3-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]prop-2-enoate is COC(=O)/C=C/[C@H]1[C@@H](c2cccnc2)OC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E)-3-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]prop-2-enoate?
The InChIKey is MZLVQULIGQMOJC-HFHBSVTDSA-N. The full InChI is InChI=1S/C19H29NO4Si/c1-19(2,3)25(5,6)24-16-13-23-18(14-8-7-11-20-12-14)15(16)9-10-17(21)22-4/h7-12,15-16,18H,13H2,1-6H3/b10-9+/t15-,16-,18-/m1/s1.
What are the key properties of methyl (E)-3-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]prop-2-enoate?
methyl (E)-3-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]prop-2-enoate has a molecular weight of 363.53 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]prop-2-enoate is sourced from PubChem (CID 86748310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).