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

C11H20NO2+ — CID 10448963

IUPAC2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one
SMILESCC1OC2(CC[N+](C)(C)CC2)CC1=O
InChIInChI=1S/C11H20NO2/c1-9-10(13)8-11(14-9)4-6-12(2,3)7-5-11/h9H,4-8H2,1-3H3/q+1
InChIKeyFCPWGOWEFVZLQC-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.97
Rot. Bonds

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

2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one (PubChem CID 10448963) has the molecular formula C11H20NO2+ and a molecular weight of 198.29 g/mol. Its IUPAC name is 2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one
PubChem CID10448963
Molecular FormulaC11H20NO2+
Molecular Weight198.29 g/mol
Exact Mass198.15
IUPAC Name2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one
SMILESCC1OC2(CC[N+](C)(C)CC2)CC1=O
InChIInChI=1S/C11H20NO2/c1-9-10(13)8-11(14-9)4-6-12(2,3)7-5-11/h9H,4-8H2,1-3H3/q+1
InChIKeyFCPWGOWEFVZLQC-UHFFFAOYSA-N
XLogP0.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one?
The IUPAC name of 2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one (CID 10448963) is 2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one.
What is the SMILES notation for 2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one?
The canonical SMILES for 2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one is CC1OC2(CC[N+](C)(C)CC2)CC1=O.
What is the InChIKey of 2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one?
The InChIKey is FCPWGOWEFVZLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20NO2/c1-9-10(13)8-11(14-9)4-6-12(2,3)7-5-11/h9H,4-8H2,1-3H3/q+1.
What are the key properties of 2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one?
2,8,8-trimethyl-1-oxa-8-azoniaspiro[4.5]decan-3-one has a molecular weight of 198.29 g/mol, XLogP of 0.97, 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 is sourced from PubChem (CID 10448963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).