(4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C22H43NO5Si — CID 10982874

IUPAC(4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC[C@@H](CCC[C@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H43NO5Si/c1-10-17(28-29(8,9)22(5,6)7)12-11-13-19(24)16(4)20(25)23-18(15(2)3)14-27-21(23)26/h15-19,24H,10-14H2,1-9H3/t16-,17+,18+,19+/m1/s1
InChIKeyROPFGLXXXKOSFJ-XWSJACJDSA-N
MW429.67 g/mol
LogP4.96
Rot. Bonds10

About (4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 10982874) has the molecular formula C22H43NO5Si and a molecular weight of 429.67 g/mol. Its IUPAC name is (4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID10982874
Molecular FormulaC22H43NO5Si
Molecular Weight429.67 g/mol
Exact Mass429.29
IUPAC Name(4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC[C@@H](CCC[C@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H43NO5Si/c1-10-17(28-29(8,9)22(5,6)7)12-11-13-19(24)16(4)20(25)23-18(15(2)3)14-27-21(23)26/h15-19,24H,10-14H2,1-9H3/t16-,17+,18+,19+/m1/s1
InChIKeyROPFGLXXXKOSFJ-XWSJACJDSA-N
XLogP4.96
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.67
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 10982874) is (4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC[C@@H](CCC[C@H](O)[C@@H](C)C(=O)N1C(=O)OC[C@H]1C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ROPFGLXXXKOSFJ-XWSJACJDSA-N. The full InChI is InChI=1S/C22H43NO5Si/c1-10-17(28-29(8,9)22(5,6)7)12-11-13-19(24)16(4)20(25)23-18(15(2)3)14-27-21(23)26/h15-19,24H,10-14H2,1-9H3/t16-,17+,18+,19+/m1/s1.
What are the key properties of (4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 429.67 g/mol, XLogP of 4.96, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R,3S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methylnonanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10982874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).