4,6-dimethyloxan-2-ol;ethane;hydroxylamine

C9H23NO3 — CID 142973812

IUPAC4,6-dimethyloxan-2-ol;ethane;hydroxylamine
SMILESCC.CC1CC(C)OC(O)C1.NO
InChIInChI=1S/C7H14O2.C2H6.H3NO/c1-5-3-6(2)9-7(8)4-5;2*1-2/h5-8H,3-4H2,1-2H3;1-2H3;2H,1H2
InChIKeyAMZANSMPEJORRY-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.50
Rot. Bonds

About 4,6-dimethyloxan-2-ol;ethane;hydroxylamine

4,6-dimethyloxan-2-ol;ethane;hydroxylamine (PubChem CID 142973812) has the molecular formula C9H23NO3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 4,6-dimethyloxan-2-ol;ethane;hydroxylamine.

Molecular Properties

Compound Name4,6-dimethyloxan-2-ol;ethane;hydroxylamine
PubChem CID142973812
Molecular FormulaC9H23NO3
Molecular Weight193.29 g/mol
Exact Mass193.17
IUPAC Name4,6-dimethyloxan-2-ol;ethane;hydroxylamine
SMILESCC.CC1CC(C)OC(O)C1.NO
InChIInChI=1S/C7H14O2.C2H6.H3NO/c1-5-3-6(2)9-7(8)4-5;2*1-2/h5-8H,3-4H2,1-2H3;1-2H3;2H,1H2
InChIKeyAMZANSMPEJORRY-UHFFFAOYSA-N
XLogP1.50
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyloxan-2-ol;ethane;hydroxylamine?
The IUPAC name of 4,6-dimethyloxan-2-ol;ethane;hydroxylamine (CID 142973812) is 4,6-dimethyloxan-2-ol;ethane;hydroxylamine.
What is the SMILES notation for 4,6-dimethyloxan-2-ol;ethane;hydroxylamine?
The canonical SMILES for 4,6-dimethyloxan-2-ol;ethane;hydroxylamine is CC.CC1CC(C)OC(O)C1.NO.
What is the InChIKey of 4,6-dimethyloxan-2-ol;ethane;hydroxylamine?
The InChIKey is AMZANSMPEJORRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.C2H6.H3NO/c1-5-3-6(2)9-7(8)4-5;2*1-2/h5-8H,3-4H2,1-2H3;1-2H3;2H,1H2.
What are the key properties of 4,6-dimethyloxan-2-ol;ethane;hydroxylamine?
4,6-dimethyloxan-2-ol;ethane;hydroxylamine has a molecular weight of 193.29 g/mol, XLogP of 1.50, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyloxan-2-ol;ethane;hydroxylamine is sourced from PubChem (CID 142973812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).