7,9-diethyl-6,7,9-trimethyl-8-oxido-1,4-dioxa-8-azoniaspiro[4.5]decane

C14H27NO3 — CID 22182219

IUPAC7,9-diethyl-6,7,9-trimethyl-8-oxido-1,4-dioxa-8-azoniaspiro[4.5]decane
SMILESCCC1(C)CC2(OCCO2)C(C)C(C)(CC)[NH+]1[O-]
InChIInChI=1S/C14H27NO3/c1-6-12(4)10-14(17-8-9-18-14)11(3)13(5,7-2)15(12)16/h11,15H,6-10H2,1-5H3
InChIKeyGDOKTHMRVBXAFA-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.49
Rot. Bonds2

About 7,9-diethyl-6,7,9-trimethyl-8-oxido-1,4-dioxa-8-azoniaspiro[4.5]decane

7,9-diethyl-6,7,9-trimethyl-8-oxido-1,4-dioxa-8-azoniaspiro[4.5]decane (PubChem CID 22182219) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 7,9-diethyl-6,7,9-trimethyl-8-oxido-1,4-dioxa-8-azoniaspiro[4.5]decane.

Molecular Properties

Compound Name7,9-diethyl-6,7,9-trimethyl-8-oxido-1,4-dioxa-8-azoniaspiro[4.5]decane
PubChem CID22182219
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name7,9-diethyl-6,7,9-trimethyl-8-oxido-1,4-dioxa-8-azoniaspiro[4.5]decane
SMILESCCC1(C)CC2(OCCO2)C(C)C(C)(CC)[NH+]1[O-]
InChIInChI=1S/C14H27NO3/c1-6-12(4)10-14(17-8-9-18-14)11(3)13(5,7-2)15(12)16/h11,15H,6-10H2,1-5H3
InChIKeyGDOKTHMRVBXAFA-UHFFFAOYSA-N
XLogP1.49
TPSA45.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,9-diethyl-6,7,9-trimethyl-8-oxido-1,4-dioxa-8-azoniaspiro[4.5]decane?
The IUPAC name of 7,9-diethyl-6,7,9-trimethyl-8-oxido-1,4-dioxa-8-azoniaspiro[4.5]decane (CID 22182219) is 7,9-diethyl-6,7,9-trimethyl-8-oxido-1,4-dioxa-8-azoniaspiro[4.5]decane.
What is the SMILES notation for 7,9-diethyl-6,7,9-trimethyl-8-oxido-1,4-dioxa-8-azoniaspiro[4.5]decane?
The canonical SMILES for 7,9-diethyl-6,7,9-trimethyl-8-oxido-1,4-dioxa-8-azoniaspiro[4.5]decane is CCC1(C)CC2(OCCO2)C(C)C(C)(CC)[NH+]1[O-].
What is the InChIKey of 7,9-diethyl-6,7,9-trimethyl-8-oxido-1,4-dioxa-8-azoniaspiro[4.5]decane?
The InChIKey is GDOKTHMRVBXAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-6-12(4)10-14(17-8-9-18-14)11(3)13(5,7-2)15(12)16/h11,15H,6-10H2,1-5H3.
What are the key properties of 7,9-diethyl-6,7,9-trimethyl-8-oxido-1,4-dioxa-8-azoniaspiro[4.5]decane?
7,9-diethyl-6,7,9-trimethyl-8-oxido-1,4-dioxa-8-azoniaspiro[4.5]decane has a molecular weight of 257.37 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-diethyl-6,7,9-trimethyl-8-oxido-1,4-dioxa-8-azoniaspiro[4.5]decane is sourced from PubChem (CID 22182219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).