5-(6,6-dimethyl-4H-1,5,2-dioxazin-3-yl)pentan-1-ol

C10H19NO3 — CID 135280632

IUPAC5-(6,6-dimethyl-4H-1,5,2-dioxazin-3-yl)pentan-1-ol
SMILESCC1(C)OCC(CCCCCO)=NO1
InChIInChI=1S/C10H19NO3/c1-10(2)13-8-9(11-14-10)6-4-3-5-7-12/h12H,3-8H2,1-2H3
InChIKeyRNOUPFXKGYPDRE-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.68
Rot. Bonds5

About 5-(6,6-dimethyl-4H-1,5,2-dioxazin-3-yl)pentan-1-ol

5-(6,6-dimethyl-4H-1,5,2-dioxazin-3-yl)pentan-1-ol (PubChem CID 135280632) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-(6,6-dimethyl-4H-1,5,2-dioxazin-3-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(6,6-dimethyl-4H-1,5,2-dioxazin-3-yl)pentan-1-ol
PubChem CID135280632
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name5-(6,6-dimethyl-4H-1,5,2-dioxazin-3-yl)pentan-1-ol
SMILESCC1(C)OCC(CCCCCO)=NO1
InChIInChI=1S/C10H19NO3/c1-10(2)13-8-9(11-14-10)6-4-3-5-7-12/h12H,3-8H2,1-2H3
InChIKeyRNOUPFXKGYPDRE-UHFFFAOYSA-N
XLogP1.68
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-(6,6-dimethyl-4H-1,5,2-dioxazin-3-yl)pentan-1-ol?
The IUPAC name of 5-(6,6-dimethyl-4H-1,5,2-dioxazin-3-yl)pentan-1-ol (CID 135280632) is 5-(6,6-dimethyl-4H-1,5,2-dioxazin-3-yl)pentan-1-ol.
What is the SMILES notation for 5-(6,6-dimethyl-4H-1,5,2-dioxazin-3-yl)pentan-1-ol?
The canonical SMILES for 5-(6,6-dimethyl-4H-1,5,2-dioxazin-3-yl)pentan-1-ol is CC1(C)OCC(CCCCCO)=NO1.
What is the InChIKey of 5-(6,6-dimethyl-4H-1,5,2-dioxazin-3-yl)pentan-1-ol?
The InChIKey is RNOUPFXKGYPDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2)13-8-9(11-14-10)6-4-3-5-7-12/h12H,3-8H2,1-2H3.
What are the key properties of 5-(6,6-dimethyl-4H-1,5,2-dioxazin-3-yl)pentan-1-ol?
5-(6,6-dimethyl-4H-1,5,2-dioxazin-3-yl)pentan-1-ol has a molecular weight of 201.27 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,6-dimethyl-4H-1,5,2-dioxazin-3-yl)pentan-1-ol is sourced from PubChem (CID 135280632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).