2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one iodide

C11H20INO2 — CID 10448962

IUPAC2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one iodide
SMILESCC1OC2(CC[N+](C)(C)CC2)CC1=O.[I-]
InChIInChI=1S/C11H20NO2.HI/c1-9-10(13)8-11(14-9)4-6-12(2,3)7-5-11;/h9H,4-8H2,1-3H3;1H/q+1;/p-1
InChIKeyGFMYHPIPVMCISZ-UHFFFAOYSA-M
MW325.19 g/mol
LogP-2.02
Rot. Bonds

About 2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one iodide

2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one iodide (PubChem CID 10448962) has the molecular formula C11H20INO2 and a molecular weight of 325.19 g/mol. Its IUPAC name is 2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one iodide.

Molecular Properties

Compound Name2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one iodide
PubChem CID10448962
Molecular FormulaC11H20INO2
Molecular Weight325.19 g/mol
Exact Mass325.05
IUPAC Name2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one iodide
SMILESCC1OC2(CC[N+](C)(C)CC2)CC1=O.[I-]
InChIInChI=1S/C11H20NO2.HI/c1-9-10(13)8-11(14-9)4-6-12(2,3)7-5-11;/h9H,4-8H2,1-3H3;1H/q+1;/p-1
InChIKeyGFMYHPIPVMCISZ-UHFFFAOYSA-M
XLogP-2.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 5-2.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2,8-Dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one
CID 10176401
2-Ethyl-8-methyl-3-oxo-1-oxa-8-azaspiro(4,5)decane
CID 125522
8-Methyl-1-oxa-8-azaspiro[4.5]decan-3-one
CID 10352099
2-Methyl-1-oxa-8-azaspiro[4.5]decan-3-one
CID 10241214
2,8-Dimethyl-1-oxa-8-azaspiro[4.5]decan-4-one
CID 10330010
(2S)-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one
CID 10012596
tert-Butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 45158734
Ethyl 2-methyl-3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 4588469
Ethyl 2-oxo-4-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 10082452
(2R)-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-one
CID 10397468
1-[(3S)-2,3,8-trimethyl-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanone
CID 395101
2,8,8-Trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one
CID 10448963

Frequently Asked Questions

What is the IUPAC name of 2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one iodide?
The IUPAC name of 2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one iodide (CID 10448962) is 2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one iodide.
What is the SMILES notation for 2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one iodide?
The canonical SMILES for 2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one iodide is CC1OC2(CC[N+](C)(C)CC2)CC1=O.[I-].
What is the InChIKey of 2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one iodide?
The InChIKey is GFMYHPIPVMCISZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H20NO2.HI/c1-9-10(13)8-11(14-9)4-6-12(2,3)7-5-11;/h9H,4-8H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one iodide?
2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one iodide has a molecular weight of 325.19 g/mol, XLogP of -2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one iodide is sourced from PubChem (CID 10448962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).