2,3-diethyl-5-azoniaspiro[4.5]decan-8-ol

C13H26NO+ — CID 20676421

IUPAC2,3-diethyl-5-azoniaspiro[4.5]decan-8-ol
SMILESCCC1C[N+]2(CCC(O)CC2)CC1CC
InChIInChI=1S/C13H26NO/c1-3-11-9-14(10-12(11)4-2)7-5-13(15)6-8-14/h11-13,15H,3-10H2,1-2H3/q+1
InChIKeyXPSZXURCZFKNFE-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.02
Rot. Bonds2

About 2,3-diethyl-5-azoniaspiro[4.5]decan-8-ol

2,3-diethyl-5-azoniaspiro[4.5]decan-8-ol (PubChem CID 20676421) has the molecular formula C13H26NO+ and a molecular weight of 212.36 g/mol. Its IUPAC name is 2,3-diethyl-5-azoniaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Name2,3-diethyl-5-azoniaspiro[4.5]decan-8-ol
PubChem CID20676421
Molecular FormulaC13H26NO+
Molecular Weight212.36 g/mol
Exact Mass212.20
IUPAC Name2,3-diethyl-5-azoniaspiro[4.5]decan-8-ol
SMILESCCC1C[N+]2(CCC(O)CC2)CC1CC
InChIInChI=1S/C13H26NO/c1-3-11-9-14(10-12(11)4-2)7-5-13(15)6-8-14/h11-13,15H,3-10H2,1-2H3/q+1
InChIKeyXPSZXURCZFKNFE-UHFFFAOYSA-N
XLogP2.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

2,3-diethyl-5-azoniaspiro[4.5]decane
CID 20676422
4-ethyl-2-methyl-6-azoniaspiro[5.5]undecan-9-ol
CID 20676436
5-azoniaspiro[4.4]nonan-3-ol hydroxide
CID 175828407
5-azoniaspiro[4.5]decan-3-ol
CID 152942581
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
(2R)-2-ethylcyclopropan-1-ol
CID 173498082
3,4-bis[2-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)ethyl]-1,1-dimethylpyrrolidin-1-ium
CID 58611498
(3R)-1,1-dimethylpyrrolidin-1-ium-3-ol iodide
CID 146627833
5-ethylcyclooctan-1-ol
CID 19931411
3,4-diethyl-1,1-dipropylpyrrolidin-1-ium
CID 20730088
CID 89088507
CID 89088507
(4S)-4-ethyl-1-methylpiperidin-3-ol
CID 142979946

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-5-azoniaspiro[4.5]decan-8-ol?
The IUPAC name of 2,3-diethyl-5-azoniaspiro[4.5]decan-8-ol (CID 20676421) is 2,3-diethyl-5-azoniaspiro[4.5]decan-8-ol.
What is the SMILES notation for 2,3-diethyl-5-azoniaspiro[4.5]decan-8-ol?
The canonical SMILES for 2,3-diethyl-5-azoniaspiro[4.5]decan-8-ol is CCC1C[N+]2(CCC(O)CC2)CC1CC.
What is the InChIKey of 2,3-diethyl-5-azoniaspiro[4.5]decan-8-ol?
The InChIKey is XPSZXURCZFKNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26NO/c1-3-11-9-14(10-12(11)4-2)7-5-13(15)6-8-14/h11-13,15H,3-10H2,1-2H3/q+1.
What are the key properties of 2,3-diethyl-5-azoniaspiro[4.5]decan-8-ol?
2,3-diethyl-5-azoniaspiro[4.5]decan-8-ol has a molecular weight of 212.36 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-5-azoniaspiro[4.5]decan-8-ol is sourced from PubChem (CID 20676421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).