CID 58729260

C13H24NO4 — CID 58729260

IUPAC—
SMILESCCOC(=O)COC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C13H24NO4/c1-6-17-11(15)9-18-10-7-12(2,3)14(16)13(4,5)8-10/h10H,6-9H2,1-5H3
InChIKeyJSSIQMGWWQUKTB-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.93
Rot. Bonds4

About CID 58729260

CID 58729260 (PubChem CID 58729260) has the molecular formula C13H24NO4 and a molecular weight of 258.34 g/mol.

Molecular Properties

Compound NameCID 58729260
PubChem CID58729260
Molecular FormulaC13H24NO4
Molecular Weight258.34 g/mol
Exact Mass258.17
IUPAC Name—
SMILESCCOC(=O)COC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C13H24NO4/c1-6-17-11(15)9-18-10-7-12(2,3)14(16)13(4,5)8-10/h10H,6-9H2,1-5H3
InChIKeyJSSIQMGWWQUKTB-UHFFFAOYSA-N
XLogP1.93
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 58729260?
The IUPAC name of CID 58729260 (CID 58729260) is not available.
What is the SMILES notation for CID 58729260?
The canonical SMILES for CID 58729260 is CCOC(=O)COC1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 58729260?
The InChIKey is JSSIQMGWWQUKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24NO4/c1-6-17-11(15)9-18-10-7-12(2,3)14(16)13(4,5)8-10/h10H,6-9H2,1-5H3.
What are the key properties of CID 58729260?
CID 58729260 has a molecular weight of 258.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58729260 is sourced from PubChem (CID 58729260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).