CID 58113715

C12H22NO3 — CID 58113715

IUPAC—
SMILESCCOC(=O)C1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C12H22NO3/c1-6-16-10(14)9-7-11(2,3)13(15)12(4,5)8-9/h9H,6-8H2,1-5H3
InChIKeyIXFYESODKYJIBX-UHFFFAOYSA-N
MW228.31 g/mol
LogP2.16
Rot. Bonds2

About CID 58113715

CID 58113715 (PubChem CID 58113715) has the molecular formula C12H22NO3 and a molecular weight of 228.31 g/mol.

Molecular Properties

Compound NameCID 58113715
PubChem CID58113715
Molecular FormulaC12H22NO3
Molecular Weight228.31 g/mol
Exact Mass228.16
IUPAC Name—
SMILESCCOC(=O)C1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C12H22NO3/c1-6-16-10(14)9-7-11(2,3)13(15)12(4,5)8-9/h9H,6-8H2,1-5H3
InChIKeyIXFYESODKYJIBX-UHFFFAOYSA-N
XLogP2.16
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58113715?
The IUPAC name of CID 58113715 (CID 58113715) is not available.
What is the SMILES notation for CID 58113715?
The canonical SMILES for CID 58113715 is CCOC(=O)C1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 58113715?
The InChIKey is IXFYESODKYJIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22NO3/c1-6-16-10(14)9-7-11(2,3)13(15)12(4,5)8-9/h9H,6-8H2,1-5H3.
What are the key properties of CID 58113715?
CID 58113715 has a molecular weight of 228.31 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58113715 is sourced from PubChem (CID 58113715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).