4-ethyl-2-methyl-6-azoniaspiro[5.5]undecan-9-ol

C13H26NO+ — CID 20676436

IUPAC4-ethyl-2-methyl-6-azoniaspiro[5.5]undecan-9-ol
SMILESCCC1CC(C)C[N+]2(CCC(O)CC2)C1
InChIInChI=1S/C13H26NO/c1-3-12-8-11(2)9-14(10-12)6-4-13(15)5-7-14/h11-13,15H,3-10H2,1-2H3/q+1
InChIKeyLRSAARRFRCKJPS-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.02
Rot. Bonds1

About 4-ethyl-2-methyl-6-azoniaspiro[5.5]undecan-9-ol

4-ethyl-2-methyl-6-azoniaspiro[5.5]undecan-9-ol (PubChem CID 20676436) has the molecular formula C13H26NO+ and a molecular weight of 212.36 g/mol. Its IUPAC name is 4-ethyl-2-methyl-6-azoniaspiro[5.5]undecan-9-ol.

Molecular Properties

Compound Name4-ethyl-2-methyl-6-azoniaspiro[5.5]undecan-9-ol
PubChem CID20676436
Molecular FormulaC13H26NO+
Molecular Weight212.36 g/mol
Exact Mass212.20
IUPAC Name4-ethyl-2-methyl-6-azoniaspiro[5.5]undecan-9-ol
SMILESCCC1CC(C)C[N+]2(CCC(O)CC2)C1
InChIInChI=1S/C13H26NO/c1-3-12-8-11(2)9-14(10-12)6-4-13(15)5-7-14/h11-13,15H,3-10H2,1-2H3/q+1
InChIKeyLRSAARRFRCKJPS-UHFFFAOYSA-N
XLogP2.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-2-methyl-6-azoniaspiro[5.6]dodecane
CID 20676438
2,3-diethyl-5-azoniaspiro[4.5]decan-8-ol
CID 20676421
3-ethyl-1,1,5-trimethylpiperidin-1-ium;methane
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3,4-diethyl-1,1-dimethylpyrrolidin-1-ium;3-ethyl-1,1,5-trimethylpiperidin-1-ium
CID 159989593
trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281
5-ethylcyclooctan-1-ol
CID 19931411
1-ethyl-3-methylcyclopentane;methane
CID 144878558
3,5-dimethyl-7-azoniaspiro[6.6]tridecane
CID 121380526
ethane;1-ethyl-3-methylcyclopentane;methane
CID 143549487
ethane;1-ethyl-3-methylcyclopentane;propane
CID 162724800
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
[(1R,3R,5R)-3-ethyl-5-methylcyclohexyl]methanol
CID 14940084

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-6-azoniaspiro[5.5]undecan-9-ol?
The IUPAC name of 4-ethyl-2-methyl-6-azoniaspiro[5.5]undecan-9-ol (CID 20676436) is 4-ethyl-2-methyl-6-azoniaspiro[5.5]undecan-9-ol.
What is the SMILES notation for 4-ethyl-2-methyl-6-azoniaspiro[5.5]undecan-9-ol?
The canonical SMILES for 4-ethyl-2-methyl-6-azoniaspiro[5.5]undecan-9-ol is CCC1CC(C)C[N+]2(CCC(O)CC2)C1.
What is the InChIKey of 4-ethyl-2-methyl-6-azoniaspiro[5.5]undecan-9-ol?
The InChIKey is LRSAARRFRCKJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26NO/c1-3-12-8-11(2)9-14(10-12)6-4-13(15)5-7-14/h11-13,15H,3-10H2,1-2H3/q+1.
What are the key properties of 4-ethyl-2-methyl-6-azoniaspiro[5.5]undecan-9-ol?
4-ethyl-2-methyl-6-azoniaspiro[5.5]undecan-9-ol has a molecular weight of 212.36 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-6-azoniaspiro[5.5]undecan-9-ol is sourced from PubChem (CID 20676436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).