CID 58982404

C15H26NO3 — CID 58982404

IUPAC—
SMILESCCC1(CC)CC2(CC(C)(C)N1[O])OCC=CCO2
InChIInChI=1S/C15H26NO3/c1-5-14(6-2)12-15(11-13(3,4)16(14)17)18-9-7-8-10-19-15/h7-8H,5-6,9-12H2,1-4H3
InChIKeyHBCHWQRIEFWXPS-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.06
Rot. Bonds2

About CID 58982404

CID 58982404 (PubChem CID 58982404) has the molecular formula C15H26NO3 and a molecular weight of 268.38 g/mol.

Molecular Properties

Compound NameCID 58982404
PubChem CID58982404
Molecular FormulaC15H26NO3
Molecular Weight268.38 g/mol
Exact Mass268.19
IUPAC Name—
SMILESCCC1(CC)CC2(CC(C)(C)N1[O])OCC=CCO2
InChIInChI=1S/C15H26NO3/c1-5-14(6-2)12-15(11-13(3,4)16(14)17)18-9-7-8-10-19-15/h7-8H,5-6,9-12H2,1-4H3
InChIKeyHBCHWQRIEFWXPS-UHFFFAOYSA-N
XLogP3.06
TPSA41.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58982404?
The IUPAC name of CID 58982404 (CID 58982404) is not available.
What is the SMILES notation for CID 58982404?
The canonical SMILES for CID 58982404 is CCC1(CC)CC2(CC(C)(C)N1[O])OCC=CCO2.
What is the InChIKey of CID 58982404?
The InChIKey is HBCHWQRIEFWXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26NO3/c1-5-14(6-2)12-15(11-13(3,4)16(14)17)18-9-7-8-10-19-15/h7-8H,5-6,9-12H2,1-4H3.
What are the key properties of CID 58982404?
CID 58982404 has a molecular weight of 268.38 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58982404 is sourced from PubChem (CID 58982404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).