3-(2-tert-butyl-5-hydroxycyclohexyl)-1,3-oxazolidine-2,4-dione

C13H21NO4 — CID 165492086

IUPAC3-(2-tert-butyl-5-hydroxycyclohexyl)-1,3-oxazolidine-2,4-dione
SMILESCC(C)(C)C1CCC(O)CC1N1C(=O)COC1=O
InChIInChI=1S/C13H21NO4/c1-13(2,3)9-5-4-8(15)6-10(9)14-11(16)7-18-12(14)17/h8-10,15H,4-7H2,1-3H3
InChIKeyFNYXDULPPZWJMI-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.54
Rot. Bonds1

About 3-(2-tert-butyl-5-hydroxycyclohexyl)-1,3-oxazolidine-2,4-dione

3-(2-tert-butyl-5-hydroxycyclohexyl)-1,3-oxazolidine-2,4-dione (PubChem CID 165492086) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-(2-tert-butyl-5-hydroxycyclohexyl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-(2-tert-butyl-5-hydroxycyclohexyl)-1,3-oxazolidine-2,4-dione
PubChem CID165492086
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name3-(2-tert-butyl-5-hydroxycyclohexyl)-1,3-oxazolidine-2,4-dione
SMILESCC(C)(C)C1CCC(O)CC1N1C(=O)COC1=O
InChIInChI=1S/C13H21NO4/c1-13(2,3)9-5-4-8(15)6-10(9)14-11(16)7-18-12(14)17/h8-10,15H,4-7H2,1-3H3
InChIKeyFNYXDULPPZWJMI-UHFFFAOYSA-N
XLogP1.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butyl-5-hydroxycyclohexyl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-(2-tert-butyl-5-hydroxycyclohexyl)-1,3-oxazolidine-2,4-dione (CID 165492086) is 3-(2-tert-butyl-5-hydroxycyclohexyl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-(2-tert-butyl-5-hydroxycyclohexyl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-(2-tert-butyl-5-hydroxycyclohexyl)-1,3-oxazolidine-2,4-dione is CC(C)(C)C1CCC(O)CC1N1C(=O)COC1=O.
What is the InChIKey of 3-(2-tert-butyl-5-hydroxycyclohexyl)-1,3-oxazolidine-2,4-dione?
The InChIKey is FNYXDULPPZWJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-13(2,3)9-5-4-8(15)6-10(9)14-11(16)7-18-12(14)17/h8-10,15H,4-7H2,1-3H3.
What are the key properties of 3-(2-tert-butyl-5-hydroxycyclohexyl)-1,3-oxazolidine-2,4-dione?
3-(2-tert-butyl-5-hydroxycyclohexyl)-1,3-oxazolidine-2,4-dione has a molecular weight of 255.31 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butyl-5-hydroxycyclohexyl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 165492086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).