[(1R,2S)-2-[(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxymethyl]cyclohexyl]methyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C24H42N2O6 — CID 11762211

IUPAC[(1R,2S)-2-[(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxymethyl]cyclohexyl]methyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COC(C)(C)N1C(=O)OC[C@H]1CCCC[C@H]1COC(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C24H42N2O6/c1-21(2)15-31-23(5,6)25(21)19(27)29-13-17-11-9-10-12-18(17)14-30-20(28)26-22(3,4)16-32-24(26,7)8/h17-18H,9-16H2,1-8H3/t17-,18+
InChIKeyRRNLCHMSIIFVTL-HDICACEKSA-N
MW454.61 g/mol
LogP4.76
Rot. Bonds4

About [(1R,2S)-2-[(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxymethyl]cyclohexyl]methyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

[(1R,2S)-2-[(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxymethyl]cyclohexyl]methyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11762211) has the molecular formula C24H42N2O6 and a molecular weight of 454.61 g/mol. Its IUPAC name is [(1R,2S)-2-[(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxymethyl]cyclohexyl]methyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(1R,2S)-2-[(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxymethyl]cyclohexyl]methyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID11762211
Molecular FormulaC24H42N2O6
Molecular Weight454.61 g/mol
Exact Mass454.30
IUPAC Name[(1R,2S)-2-[(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxymethyl]cyclohexyl]methyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCC1(C)COC(C)(C)N1C(=O)OC[C@H]1CCCC[C@H]1COC(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C24H42N2O6/c1-21(2)15-31-23(5,6)25(21)19(27)29-13-17-11-9-10-12-18(17)14-30-20(28)26-22(3,4)16-32-24(26,7)8/h17-18H,9-16H2,1-8H3/t17-,18+
InChIKeyRRNLCHMSIIFVTL-HDICACEKSA-N
XLogP4.76
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.61
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1R,2S)-2-[(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxymethyl]cyclohexyl]methyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-[(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxymethyl]cyclohexyl]methyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(1R,2S)-2-[(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxymethyl]cyclohexyl]methyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 11762211) is [(1R,2S)-2-[(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxymethyl]cyclohexyl]methyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(1R,2S)-2-[(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxymethyl]cyclohexyl]methyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(1R,2S)-2-[(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxymethyl]cyclohexyl]methyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is CC1(C)COC(C)(C)N1C(=O)OC[C@H]1CCCC[C@H]1COC(=O)N1C(C)(C)COC1(C)C.
What is the InChIKey of [(1R,2S)-2-[(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxymethyl]cyclohexyl]methyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is RRNLCHMSIIFVTL-HDICACEKSA-N. The full InChI is InChI=1S/C24H42N2O6/c1-21(2)15-31-23(5,6)25(21)19(27)29-13-17-11-9-10-12-18(17)14-30-20(28)26-22(3,4)16-32-24(26,7)8/h17-18H,9-16H2,1-8H3/t17-,18+.
What are the key properties of [(1R,2S)-2-[(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxymethyl]cyclohexyl]methyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[(1R,2S)-2-[(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxymethyl]cyclohexyl]methyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 454.61 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-[(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxymethyl]cyclohexyl]methyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11762211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).