(4S)-3-[(2R,4S,5R,6R)-5-(methoxymethoxy)-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C19H35NO5 — CID 102443691

IUPAC(4S)-3-[(2R,4S,5R,6R)-5-(methoxymethoxy)-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC[C@@H](C)[C@@H](OCOC)[C@@H](C)C[C@@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C19H35NO5/c1-8-13(4)17(25-11-23-7)14(5)9-15(6)18(21)20-16(12(2)3)10-24-19(20)22/h12-17H,8-11H2,1-7H3/t13-,14+,15-,16-,17-/m1/s1
InChIKeyBUZGGLDJHJGQMS-ZHCJQAHYSA-N
MW357.49 g/mol
LogP3.69
Rot. Bonds10

About (4S)-3-[(2R,4S,5R,6R)-5-(methoxymethoxy)-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(2R,4S,5R,6R)-5-(methoxymethoxy)-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 102443691) has the molecular formula C19H35NO5 and a molecular weight of 357.49 g/mol. Its IUPAC name is (4S)-3-[(2R,4S,5R,6R)-5-(methoxymethoxy)-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2R,4S,5R,6R)-5-(methoxymethoxy)-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID102443691
Molecular FormulaC19H35NO5
Molecular Weight357.49 g/mol
Exact Mass357.25
IUPAC Name(4S)-3-[(2R,4S,5R,6R)-5-(methoxymethoxy)-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC[C@@H](C)[C@@H](OCOC)[C@@H](C)C[C@@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C19H35NO5/c1-8-13(4)17(25-11-23-7)14(5)9-15(6)18(21)20-16(12(2)3)10-24-19(20)22/h12-17H,8-11H2,1-7H3/t13-,14+,15-,16-,17-/m1/s1
InChIKeyBUZGGLDJHJGQMS-ZHCJQAHYSA-N
XLogP3.69
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4S)-3-[(2R,4S,5R,6R)-5-(methoxymethoxy)-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-3-[(2S,4S,5R,6R)-5-hydroxy-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102443692
(2S)-1-[(2S,5S)-2,5-bis(methoxymethoxymethyl)pyrrolidin-1-yl]-2-methyldodecane-1,3-dione
CID 134905469
(2R)-1-[(2S,5S)-2,5-bis(methoxymethoxymethyl)pyrrolidin-1-yl]-2-methyldodecane-1,3-dione
CID 134905470
(4R)-3-[(2S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyldecanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 138970673
[3,5,7-trimethyl-8-oxo-8-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]octan-4-yl] methanesulfonate
CID 58773645
(4R)-3-(5-hydroxy-2,4,6-trimethyloctanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 58773648
[(2R,7R)-7-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]decan-2-yl] formate
CID 87583176
Tert-butyl 5-(1-formyloxypentyl)-2-oxo-3-propan-2-ylpyrrolidine-1-carboxylate
CID 123183858
(2S,3S)-2-(methoxymethoxy)-3-methyl-6-oxo-6-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hexanal
CID 10543347
(4S)-3-[(4S,5S,6R)-6,7-dihydroxy-5-(methoxymethoxy)-4-methylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10593757
(4S)-3-[(2S,4S,5S)-5-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-5-(methoxymethoxy)-2,4-dimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10646255
(4S)-3-[(4S,5S)-5-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-5-(methoxymethoxy)-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10716757

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2R,4S,5R,6R)-5-(methoxymethoxy)-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2R,4S,5R,6R)-5-(methoxymethoxy)-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 102443691) is (4S)-3-[(2R,4S,5R,6R)-5-(methoxymethoxy)-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2R,4S,5R,6R)-5-(methoxymethoxy)-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2R,4S,5R,6R)-5-(methoxymethoxy)-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC[C@@H](C)[C@@H](OCOC)[C@@H](C)C[C@@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[(2R,4S,5R,6R)-5-(methoxymethoxy)-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is BUZGGLDJHJGQMS-ZHCJQAHYSA-N. The full InChI is InChI=1S/C19H35NO5/c1-8-13(4)17(25-11-23-7)14(5)9-15(6)18(21)20-16(12(2)3)10-24-19(20)22/h12-17H,8-11H2,1-7H3/t13-,14+,15-,16-,17-/m1/s1.
What are the key properties of (4S)-3-[(2R,4S,5R,6R)-5-(methoxymethoxy)-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(2R,4S,5R,6R)-5-(methoxymethoxy)-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 357.49 g/mol, XLogP of 3.69, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2R,4S,5R,6R)-5-(methoxymethoxy)-2,4,6-trimethyloctanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 102443691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).