(8,8-dimethyl-1,4-dioxa-8-azoniaspiro[4.5]decan-7-yl)methanol

C10H20NO3+ — CID 164540190

IUPAC(8,8-dimethyl-1,4-dioxa-8-azoniaspiro[4.5]decan-7-yl)methanol
SMILESC[N+]1(C)CCC2(CC1CO)OCCO2
InChIInChI=1S/C10H20NO3/c1-11(2)4-3-10(7-9(11)8-12)13-5-6-14-10/h9,12H,3-8H2,1-2H3/q+1
InChIKeyMETAUTGOOIRSNV-UHFFFAOYSA-N
MW202.27 g/mol
LogP-0.04
Rot. Bonds1

About (8,8-dimethyl-1,4-dioxa-8-azoniaspiro[4.5]decan-7-yl)methanol

(8,8-dimethyl-1,4-dioxa-8-azoniaspiro[4.5]decan-7-yl)methanol (PubChem CID 164540190) has the molecular formula C10H20NO3+ and a molecular weight of 202.27 g/mol. Its IUPAC name is (8,8-dimethyl-1,4-dioxa-8-azoniaspiro[4.5]decan-7-yl)methanol.

Molecular Properties

Compound Name(8,8-dimethyl-1,4-dioxa-8-azoniaspiro[4.5]decan-7-yl)methanol
PubChem CID164540190
Molecular FormulaC10H20NO3+
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Name(8,8-dimethyl-1,4-dioxa-8-azoniaspiro[4.5]decan-7-yl)methanol
SMILESC[N+]1(C)CCC2(CC1CO)OCCO2
InChIInChI=1S/C10H20NO3/c1-11(2)4-3-10(7-9(11)8-12)13-5-6-14-10/h9,12H,3-8H2,1-2H3/q+1
InChIKeyMETAUTGOOIRSNV-UHFFFAOYSA-N
XLogP-0.04
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8,8-dimethyl-1,4-dioxa-8-azoniaspiro[4.5]decan-7-yl)methanol?
The IUPAC name of (8,8-dimethyl-1,4-dioxa-8-azoniaspiro[4.5]decan-7-yl)methanol (CID 164540190) is (8,8-dimethyl-1,4-dioxa-8-azoniaspiro[4.5]decan-7-yl)methanol.
What is the SMILES notation for (8,8-dimethyl-1,4-dioxa-8-azoniaspiro[4.5]decan-7-yl)methanol?
The canonical SMILES for (8,8-dimethyl-1,4-dioxa-8-azoniaspiro[4.5]decan-7-yl)methanol is C[N+]1(C)CCC2(CC1CO)OCCO2.
What is the InChIKey of (8,8-dimethyl-1,4-dioxa-8-azoniaspiro[4.5]decan-7-yl)methanol?
The InChIKey is METAUTGOOIRSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO3/c1-11(2)4-3-10(7-9(11)8-12)13-5-6-14-10/h9,12H,3-8H2,1-2H3/q+1.
What are the key properties of (8,8-dimethyl-1,4-dioxa-8-azoniaspiro[4.5]decan-7-yl)methanol?
(8,8-dimethyl-1,4-dioxa-8-azoniaspiro[4.5]decan-7-yl)methanol has a molecular weight of 202.27 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8,8-dimethyl-1,4-dioxa-8-azoniaspiro[4.5]decan-7-yl)methanol is sourced from PubChem (CID 164540190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).