1,4-dioxa-8-azoniaspiro[4.5]decane

C7H14NO2+ — CID 6997268

IUPAC1,4-dioxa-8-azoniaspiro[4.5]decane
SMILESC1CC2(CC[NH2+]1)OCCO2
InChIInChI=1S/C7H13NO2/c1-3-8-4-2-7(1)9-5-6-10-7/h8H,1-6H2/p+1
InChIKeyKPKNTUUIEVXMOH-UHFFFAOYSA-O
MW144.19 g/mol
LogP-0.91
Rot. Bonds

About 1,4-dioxa-8-azoniaspiro[4.5]decane

1,4-dioxa-8-azoniaspiro[4.5]decane (PubChem CID 6997268) has the molecular formula C7H14NO2+ and a molecular weight of 144.19 g/mol. Its IUPAC name is 1,4-dioxa-8-azoniaspiro[4.5]decane.

Molecular Properties

Compound Name1,4-dioxa-8-azoniaspiro[4.5]decane
PubChem CID6997268
Molecular FormulaC7H14NO2+
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name1,4-dioxa-8-azoniaspiro[4.5]decane
SMILESC1CC2(CC[NH2+]1)OCCO2
InChIInChI=1S/C7H13NO2/c1-3-8-4-2-7(1)9-5-6-10-7/h8H,1-6H2/p+1
InChIKeyKPKNTUUIEVXMOH-UHFFFAOYSA-O
XLogP-0.91
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-8-azoniaspiro[4.5]decane?
The IUPAC name of 1,4-dioxa-8-azoniaspiro[4.5]decane (CID 6997268) is 1,4-dioxa-8-azoniaspiro[4.5]decane.
What is the SMILES notation for 1,4-dioxa-8-azoniaspiro[4.5]decane?
The canonical SMILES for 1,4-dioxa-8-azoniaspiro[4.5]decane is C1CC2(CC[NH2+]1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azoniaspiro[4.5]decane?
The InChIKey is KPKNTUUIEVXMOH-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13NO2/c1-3-8-4-2-7(1)9-5-6-10-7/h8H,1-6H2/p+1.
What are the key properties of 1,4-dioxa-8-azoniaspiro[4.5]decane?
1,4-dioxa-8-azoniaspiro[4.5]decane has a molecular weight of 144.19 g/mol, XLogP of -0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azoniaspiro[4.5]decane is sourced from PubChem (CID 6997268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).