CID 140891551

C13H26NO3 — CID 140891551

IUPAC—
SMILESCOCCCOC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C13H26NO3/c1-12(2)9-11(17-8-6-7-16-5)10-13(3,4)14(12)15/h11H,6-10H2,1-5H3
InChIKeyGRCUQZQVXXICIZ-UHFFFAOYSA-N
MW244.35 g/mol
LogP2.41
Rot. Bonds5

About CID 140891551

CID 140891551 (PubChem CID 140891551) has the molecular formula C13H26NO3 and a molecular weight of 244.35 g/mol.

Molecular Properties

Compound NameCID 140891551
PubChem CID140891551
Molecular FormulaC13H26NO3
Molecular Weight244.35 g/mol
Exact Mass244.19
IUPAC Name—
SMILESCOCCCOC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C13H26NO3/c1-12(2)9-11(17-8-6-7-16-5)10-13(3,4)14(12)15/h11H,6-10H2,1-5H3
InChIKeyGRCUQZQVXXICIZ-UHFFFAOYSA-N
XLogP2.41
TPSA41.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.35
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 140891551?
The IUPAC name of CID 140891551 (CID 140891551) is not available.
What is the SMILES notation for CID 140891551?
The canonical SMILES for CID 140891551 is COCCCOC1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 140891551?
The InChIKey is GRCUQZQVXXICIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26NO3/c1-12(2)9-11(17-8-6-7-16-5)10-13(3,4)14(12)15/h11H,6-10H2,1-5H3.
What are the key properties of CID 140891551?
CID 140891551 has a molecular weight of 244.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140891551 is sourced from PubChem (CID 140891551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).