(4S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(pyridin-2-ylmethyl)oxolan-2-one

C18H29NO3Si — CID 12065757

IUPAC(4S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(pyridin-2-ylmethyl)oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@H]1OC(=O)C[C@@H]1Cc1ccccn1
InChIInChI=1S/C18H29NO3Si/c1-18(2,3)23(4,5)21-11-9-16-14(13-17(20)22-16)12-15-8-6-7-10-19-15/h6-8,10,14,16H,9,11-13H2,1-5H3/t14-,16+/m0/s1
InChIKeyDDQAAMKBJBLRGU-GOEBONIOSA-N
MW335.52 g/mol
LogP3.97
Rot. Bonds6

About (4S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(pyridin-2-ylmethyl)oxolan-2-one

(4S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(pyridin-2-ylmethyl)oxolan-2-one (PubChem CID 12065757) has the molecular formula C18H29NO3Si and a molecular weight of 335.52 g/mol. Its IUPAC name is (4S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(pyridin-2-ylmethyl)oxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(pyridin-2-ylmethyl)oxolan-2-one
PubChem CID12065757
Molecular FormulaC18H29NO3Si
Molecular Weight335.52 g/mol
Exact Mass335.19
IUPAC Name(4S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(pyridin-2-ylmethyl)oxolan-2-one
SMILESCC(C)(C)[Si](C)(C)OCC[C@H]1OC(=O)C[C@@H]1Cc1ccccn1
InChIInChI=1S/C18H29NO3Si/c1-18(2,3)23(4,5)21-11-9-16-14(13-17(20)22-16)12-15-8-6-7-10-19-15/h6-8,10,14,16H,9,11-13H2,1-5H3/t14-,16+/m0/s1
InChIKeyDDQAAMKBJBLRGU-GOEBONIOSA-N
XLogP3.97
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 53.97
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

(5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 15633274
cis-(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one
CID 91867075
2-[tert-butyl(dimethyl)silyl]oxyethyl pyridin-2-ylsulfanylformate
CID 171559060
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione
CID 101218952
2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyridine
CID 58318500
(2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 54775405
tert-butyl-[3-(2-chlorophenoxy)propoxy]-dimethylsilane;carbon dioxide
CID 162028338
(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(1S)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]oxolan-2-one
CID 11005929
(2,6-dimethyl-4-pyridinyl)-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 135103697
(3aS,4S,6aR)-4-[6-[tert-butyl(diphenyl)silyl]oxyhexyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11167187
tert-butyl-dimethyl-[[(2R)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]silane
CID 177415257
4-tert-butyl-2-(pyridin-2-ylmethyl)cyclohexan-1-one
CID 79416698

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(pyridin-2-ylmethyl)oxolan-2-one?
The IUPAC name of (4S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(pyridin-2-ylmethyl)oxolan-2-one (CID 12065757) is (4S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(pyridin-2-ylmethyl)oxolan-2-one.
What is the SMILES notation for (4S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(pyridin-2-ylmethyl)oxolan-2-one?
The canonical SMILES for (4S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(pyridin-2-ylmethyl)oxolan-2-one is CC(C)(C)[Si](C)(C)OCC[C@H]1OC(=O)C[C@@H]1Cc1ccccn1.
What is the InChIKey of (4S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(pyridin-2-ylmethyl)oxolan-2-one?
The InChIKey is DDQAAMKBJBLRGU-GOEBONIOSA-N. The full InChI is InChI=1S/C18H29NO3Si/c1-18(2,3)23(4,5)21-11-9-16-14(13-17(20)22-16)12-15-8-6-7-10-19-15/h6-8,10,14,16H,9,11-13H2,1-5H3/t14-,16+/m0/s1.
What are the key properties of (4S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(pyridin-2-ylmethyl)oxolan-2-one?
(4S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(pyridin-2-ylmethyl)oxolan-2-one has a molecular weight of 335.52 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(pyridin-2-ylmethyl)oxolan-2-one is sourced from PubChem (CID 12065757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).