O-(1,9-dioxaspiro[5.5]undecan-4-yl)hydroxylamine

C9H17NO3 — CID 79894333

IUPACO-(1,9-dioxaspiro[5.5]undecan-4-yl)hydroxylamine
SMILESNOC1CCOC2(CCOCC2)C1
InChIInChI=1S/C9H17NO3/c10-13-8-1-4-12-9(7-8)2-5-11-6-3-9/h8H,1-7,10H2
InChIKeyMYVHMDJKEAORJL-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.60
Rot. Bonds1

About O-(1,9-dioxaspiro[5.5]undecan-4-yl)hydroxylamine

O-(1,9-dioxaspiro[5.5]undecan-4-yl)hydroxylamine (PubChem CID 79894333) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is O-(1,9-dioxaspiro[5.5]undecan-4-yl)hydroxylamine.

Molecular Properties

Compound NameO-(1,9-dioxaspiro[5.5]undecan-4-yl)hydroxylamine
PubChem CID79894333
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameO-(1,9-dioxaspiro[5.5]undecan-4-yl)hydroxylamine
SMILESNOC1CCOC2(CCOCC2)C1
InChIInChI=1S/C9H17NO3/c10-13-8-1-4-12-9(7-8)2-5-11-6-3-9/h8H,1-7,10H2
InChIKeyMYVHMDJKEAORJL-UHFFFAOYSA-N
XLogP0.60
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.60
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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Related Compounds

O-(1-oxaspiro[5.5]undecan-4-yl)hydroxylamine
CID 79894176
4-(1,9-dioxaspiro[5.5]undecan-4-yloxymethyl)aniline
CID 79904766
4-methyl-1,9-dioxaspiro[5.5]undecane
CID 131067264
4-iodo-1,9-dioxaspiro[5.5]undecane
CID 79923455
3-bromo-5-(1,9-dioxaspiro[5.5]undecan-4-yloxy)aniline
CID 103588032
2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-3-fluoroaniline
CID 104831207
4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-2,5-dimethylaniline
CID 79898685
2-(5-oxaspiro[3.5]nonan-8-yloxy)ethanamine
CID 79893869
4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane
CID 79905383
2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-4-fluoroaniline
CID 79904764
5-bromo-2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904366
1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 79912406

Frequently Asked Questions

What is the IUPAC name of O-(1,9-dioxaspiro[5.5]undecan-4-yl)hydroxylamine?
The IUPAC name of O-(1,9-dioxaspiro[5.5]undecan-4-yl)hydroxylamine (CID 79894333) is O-(1,9-dioxaspiro[5.5]undecan-4-yl)hydroxylamine.
What is the SMILES notation for O-(1,9-dioxaspiro[5.5]undecan-4-yl)hydroxylamine?
The canonical SMILES for O-(1,9-dioxaspiro[5.5]undecan-4-yl)hydroxylamine is NOC1CCOC2(CCOCC2)C1.
What is the InChIKey of O-(1,9-dioxaspiro[5.5]undecan-4-yl)hydroxylamine?
The InChIKey is MYVHMDJKEAORJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c10-13-8-1-4-12-9(7-8)2-5-11-6-3-9/h8H,1-7,10H2.
What are the key properties of O-(1,9-dioxaspiro[5.5]undecan-4-yl)hydroxylamine?
O-(1,9-dioxaspiro[5.5]undecan-4-yl)hydroxylamine has a molecular weight of 187.24 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1,9-dioxaspiro[5.5]undecan-4-yl)hydroxylamine is sourced from PubChem (CID 79894333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).