3-O-tert-butyl 5-O-methyl 4-cyclohexyl-2-(4-methoxycyclohexyl)-1,3-oxazolidine-3,5-dicarboxylate

C23H39NO6 — CID 77425236

IUPAC3-O-tert-butyl 5-O-methyl 4-cyclohexyl-2-(4-methoxycyclohexyl)-1,3-oxazolidine-3,5-dicarboxylate
SMILESCOC(=O)C1OC(C2CCC(OC)CC2)N(C(=O)OC(C)(C)C)C1C1CCCCC1
InChIInChI=1S/C23H39NO6/c1-23(2,3)30-22(26)24-18(15-9-7-6-8-10-15)19(21(25)28-5)29-20(24)16-11-13-17(27-4)14-12-16/h15-20H,6-14H2,1-5H3
InChIKeyCSMVYBABZAUTIX-UHFFFAOYSA-N
MW425.57 g/mol
LogP4.28
Rot. Bonds4

About 3-O-tert-butyl 5-O-methyl 4-cyclohexyl-2-(4-methoxycyclohexyl)-1,3-oxazolidine-3,5-dicarboxylate

3-O-tert-butyl 5-O-methyl 4-cyclohexyl-2-(4-methoxycyclohexyl)-1,3-oxazolidine-3,5-dicarboxylate (PubChem CID 77425236) has the molecular formula C23H39NO6 and a molecular weight of 425.57 g/mol. Its IUPAC name is 3-O-tert-butyl 5-O-methyl 4-cyclohexyl-2-(4-methoxycyclohexyl)-1,3-oxazolidine-3,5-dicarboxylate.

Molecular Properties

Compound Name3-O-tert-butyl 5-O-methyl 4-cyclohexyl-2-(4-methoxycyclohexyl)-1,3-oxazolidine-3,5-dicarboxylate
PubChem CID77425236
Molecular FormulaC23H39NO6
Molecular Weight425.57 g/mol
Exact Mass425.28
IUPAC Name3-O-tert-butyl 5-O-methyl 4-cyclohexyl-2-(4-methoxycyclohexyl)-1,3-oxazolidine-3,5-dicarboxylate
SMILESCOC(=O)C1OC(C2CCC(OC)CC2)N(C(=O)OC(C)(C)C)C1C1CCCCC1
InChIInChI=1S/C23H39NO6/c1-23(2,3)30-22(26)24-18(15-9-7-6-8-10-15)19(21(25)28-5)29-20(24)16-11-13-17(27-4)14-12-16/h15-20H,6-14H2,1-5H3
InChIKeyCSMVYBABZAUTIX-UHFFFAOYSA-N
XLogP4.28
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-O-tert-butyl 5-O-methyl 4-cyclohexyl-2-(4-methoxycyclohexyl)-1,3-oxazolidine-3,5-dicarboxylate with MolForge

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Related Compounds

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1-O-tert-butyl 2-O-methyl 6-propylpiperidine-1,2-dicarboxylate
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CID 101100230
tert-butyl 1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 3-O-tert-butyl 5-O-methyl 4-cyclohexyl-2-(4-methoxycyclohexyl)-1,3-oxazolidine-3,5-dicarboxylate?
The IUPAC name of 3-O-tert-butyl 5-O-methyl 4-cyclohexyl-2-(4-methoxycyclohexyl)-1,3-oxazolidine-3,5-dicarboxylate (CID 77425236) is 3-O-tert-butyl 5-O-methyl 4-cyclohexyl-2-(4-methoxycyclohexyl)-1,3-oxazolidine-3,5-dicarboxylate.
What is the SMILES notation for 3-O-tert-butyl 5-O-methyl 4-cyclohexyl-2-(4-methoxycyclohexyl)-1,3-oxazolidine-3,5-dicarboxylate?
The canonical SMILES for 3-O-tert-butyl 5-O-methyl 4-cyclohexyl-2-(4-methoxycyclohexyl)-1,3-oxazolidine-3,5-dicarboxylate is COC(=O)C1OC(C2CCC(OC)CC2)N(C(=O)OC(C)(C)C)C1C1CCCCC1.
What is the InChIKey of 3-O-tert-butyl 5-O-methyl 4-cyclohexyl-2-(4-methoxycyclohexyl)-1,3-oxazolidine-3,5-dicarboxylate?
The InChIKey is CSMVYBABZAUTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO6/c1-23(2,3)30-22(26)24-18(15-9-7-6-8-10-15)19(21(25)28-5)29-20(24)16-11-13-17(27-4)14-12-16/h15-20H,6-14H2,1-5H3.
What are the key properties of 3-O-tert-butyl 5-O-methyl 4-cyclohexyl-2-(4-methoxycyclohexyl)-1,3-oxazolidine-3,5-dicarboxylate?
3-O-tert-butyl 5-O-methyl 4-cyclohexyl-2-(4-methoxycyclohexyl)-1,3-oxazolidine-3,5-dicarboxylate has a molecular weight of 425.57 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-tert-butyl 5-O-methyl 4-cyclohexyl-2-(4-methoxycyclohexyl)-1,3-oxazolidine-3,5-dicarboxylate is sourced from PubChem (CID 77425236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).