OH-Pen

C13H26NO2 — CID 119057287

IUPAC—
SMILESCCCCCC1(C)CC(O)CC(C)(C)N1[O]
InChIInChI=1S/C13H26NO2/c1-5-6-7-8-13(4)10-11(15)9-12(2,3)14(13)16/h11,15H,5-10H2,1-4H3
InChIKeyONUGJIXRZSXPAX-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.91
Rot. Bonds4

About OH-Pen

OH-Pen (PubChem CID 119057287) has the molecular formula C13H26NO2 and a molecular weight of 228.36 g/mol.

Molecular Properties

Compound NameOH-Pen
PubChem CID119057287
Molecular FormulaC13H26NO2
Molecular Weight228.36 g/mol
Exact Mass228.20
IUPAC Name—
SMILESCCCCCC1(C)CC(O)CC(C)(C)N1[O]
InChIInChI=1S/C13H26NO2/c1-5-6-7-8-13(4)10-11(15)9-12(2,3)14(13)16/h11,15H,5-10H2,1-4H3
InChIKeyONUGJIXRZSXPAX-UHFFFAOYSA-N
XLogP2.91
TPSA43.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 OH-Pen?
The IUPAC name of OH-Pen (CID 119057287) is not available.
What is the SMILES notation for OH-Pen?
The canonical SMILES for OH-Pen is CCCCCC1(C)CC(O)CC(C)(C)N1[O].
What is the InChIKey of OH-Pen?
The InChIKey is ONUGJIXRZSXPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26NO2/c1-5-6-7-8-13(4)10-11(15)9-12(2,3)14(13)16/h11,15H,5-10H2,1-4H3.
What are the key properties of OH-Pen?
OH-Pen has a molecular weight of 228.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for OH-Pen is sourced from PubChem (CID 119057287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).