O-(2,2-dimethyl-1,3-dioxan-5-yl)hydroxylamine

C6H13NO3 — CID 22025693

IUPACO-(2,2-dimethyl-1,3-dioxan-5-yl)hydroxylamine
SMILESCC1(C)OCC(ON)CO1
InChIInChI=1S/C6H13NO3/c1-6(2)8-3-5(10-7)4-9-6/h5H,3-4,7H2,1-2H3
InChIKeyCNKLVDBLWSVDNZ-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.03
Rot. Bonds1

About O-(2,2-dimethyl-1,3-dioxan-5-yl)hydroxylamine

O-(2,2-dimethyl-1,3-dioxan-5-yl)hydroxylamine (PubChem CID 22025693) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is O-(2,2-dimethyl-1,3-dioxan-5-yl)hydroxylamine.

Molecular Properties

Compound NameO-(2,2-dimethyl-1,3-dioxan-5-yl)hydroxylamine
PubChem CID22025693
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC NameO-(2,2-dimethyl-1,3-dioxan-5-yl)hydroxylamine
SMILESCC1(C)OCC(ON)CO1
InChIInChI=1S/C6H13NO3/c1-6(2)8-3-5(10-7)4-9-6/h5H,3-4,7H2,1-2H3
InChIKeyCNKLVDBLWSVDNZ-UHFFFAOYSA-N
XLogP0.03
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.03
H-Bond Donors ≤ 51
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 O-(2,2-dimethyl-1,3-dioxan-5-yl)hydroxylamine?
The IUPAC name of O-(2,2-dimethyl-1,3-dioxan-5-yl)hydroxylamine (CID 22025693) is O-(2,2-dimethyl-1,3-dioxan-5-yl)hydroxylamine.
What is the SMILES notation for O-(2,2-dimethyl-1,3-dioxan-5-yl)hydroxylamine?
The canonical SMILES for O-(2,2-dimethyl-1,3-dioxan-5-yl)hydroxylamine is CC1(C)OCC(ON)CO1.
What is the InChIKey of O-(2,2-dimethyl-1,3-dioxan-5-yl)hydroxylamine?
The InChIKey is CNKLVDBLWSVDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-6(2)8-3-5(10-7)4-9-6/h5H,3-4,7H2,1-2H3.
What are the key properties of O-(2,2-dimethyl-1,3-dioxan-5-yl)hydroxylamine?
O-(2,2-dimethyl-1,3-dioxan-5-yl)hydroxylamine has a molecular weight of 147.17 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2,2-dimethyl-1,3-dioxan-5-yl)hydroxylamine is sourced from PubChem (CID 22025693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).