(2-methyl-2-oxido-5,8-dioxa-2-azoniaspiro[3.4]octan-7-yl)methanol

C7H13NO4 — CID 22967024

IUPAC(2-methyl-2-oxido-5,8-dioxa-2-azoniaspiro[3.4]octan-7-yl)methanol
SMILESC[N+]1([O-])CC2(C1)OCC(CO)O2
InChIInChI=1S/C7H13NO4/c1-8(10)4-7(5-8)11-3-6(2-9)12-7/h6,9H,2-5H2,1H3
InChIKeyGNPYBODXQADGJE-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.95
Rot. Bonds1

About (2-methyl-2-oxido-5,8-dioxa-2-azoniaspiro[3.4]octan-7-yl)methanol

(2-methyl-2-oxido-5,8-dioxa-2-azoniaspiro[3.4]octan-7-yl)methanol (PubChem CID 22967024) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is (2-methyl-2-oxido-5,8-dioxa-2-azoniaspiro[3.4]octan-7-yl)methanol.

Molecular Properties

Compound Name(2-methyl-2-oxido-5,8-dioxa-2-azoniaspiro[3.4]octan-7-yl)methanol
PubChem CID22967024
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name(2-methyl-2-oxido-5,8-dioxa-2-azoniaspiro[3.4]octan-7-yl)methanol
SMILESC[N+]1([O-])CC2(C1)OCC(CO)O2
InChIInChI=1S/C7H13NO4/c1-8(10)4-7(5-8)11-3-6(2-9)12-7/h6,9H,2-5H2,1H3
InChIKeyGNPYBODXQADGJE-UHFFFAOYSA-N
XLogP-0.95
TPSA61.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-methyl-2-oxido-5,8-dioxa-2-azoniaspiro[3.4]octan-7-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methyl-5,8-dioxa-2-azaspiro[3.4]octan-7-yl)methanol
CID 22967026
[(3R)-8-hydroxy-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methanol
CID 99492998
(7,7-diethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol
CID 68841232
[(4S)-2-(chloromethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 71445983
(2-methyl-2-prop-1-en-2-yl-1,3-dioxolan-4-yl)methanol
CID 130147634
[8-(oxiran-2-ylmethoxy)-1,4-dioxaspiro[4.5]decan-3-yl]methanol
CID 87061012
(2-ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol
CID 21980
(8-benzyl-7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methanol
CID 70588218
(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane
CID 67855478
[(2R,4S)-2-methyl-2-(3-methylbut-2-enyl)-1,3-dioxolan-4-yl]methanol
CID 131089318
[2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 14872520
3-ethyl-1,4-dioxaspiro[4.4]nonane
CID 20802298

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-oxido-5,8-dioxa-2-azoniaspiro[3.4]octan-7-yl)methanol?
The IUPAC name of (2-methyl-2-oxido-5,8-dioxa-2-azoniaspiro[3.4]octan-7-yl)methanol (CID 22967024) is (2-methyl-2-oxido-5,8-dioxa-2-azoniaspiro[3.4]octan-7-yl)methanol.
What is the SMILES notation for (2-methyl-2-oxido-5,8-dioxa-2-azoniaspiro[3.4]octan-7-yl)methanol?
The canonical SMILES for (2-methyl-2-oxido-5,8-dioxa-2-azoniaspiro[3.4]octan-7-yl)methanol is C[N+]1([O-])CC2(C1)OCC(CO)O2.
What is the InChIKey of (2-methyl-2-oxido-5,8-dioxa-2-azoniaspiro[3.4]octan-7-yl)methanol?
The InChIKey is GNPYBODXQADGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-8(10)4-7(5-8)11-3-6(2-9)12-7/h6,9H,2-5H2,1H3.
What are the key properties of (2-methyl-2-oxido-5,8-dioxa-2-azoniaspiro[3.4]octan-7-yl)methanol?
(2-methyl-2-oxido-5,8-dioxa-2-azoniaspiro[3.4]octan-7-yl)methanol has a molecular weight of 175.18 g/mol, XLogP of -0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-oxido-5,8-dioxa-2-azoniaspiro[3.4]octan-7-yl)methanol is sourced from PubChem (CID 22967024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).