5-methyl-3-oxa-9-azaspiro[5.5]undecane tritetrafluoroborate

C10H19B3F12NO-3 — CID 174191568

IUPAC5-methyl-3-oxa-9-azaspiro[5.5]undecane tritetrafluoroborate
SMILESCC1COCCC12CCNCC2.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C10H19NO.3BF4/c1-9-8-12-7-4-10(9)2-5-11-6-3-10;3*2-1(3,4)5/h9,11H,2-8H2,1H3;;;/q;3*-1
InChIKeyDHXMDSWWEAUAQA-UHFFFAOYSA-N
MW429.68 g/mol
LogP5.31
Rot. Bonds

About 5-methyl-3-oxa-9-azaspiro[5.5]undecane tritetrafluoroborate

5-methyl-3-oxa-9-azaspiro[5.5]undecane tritetrafluoroborate (PubChem CID 174191568) has the molecular formula C10H19B3F12NO-3 and a molecular weight of 429.68 g/mol. Its IUPAC name is 5-methyl-3-oxa-9-azaspiro[5.5]undecane tritetrafluoroborate.

Molecular Properties

Compound Name5-methyl-3-oxa-9-azaspiro[5.5]undecane tritetrafluoroborate
PubChem CID174191568
Molecular FormulaC10H19B3F12NO-3
Molecular Weight429.68 g/mol
Exact Mass430.16
IUPAC Name5-methyl-3-oxa-9-azaspiro[5.5]undecane tritetrafluoroborate
SMILESCC1COCCC12CCNCC2.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C10H19NO.3BF4/c1-9-8-12-7-4-10(9)2-5-11-6-3-10;3*2-1(3,4)5/h9,11H,2-8H2,1H3;;;/q;3*-1
InChIKeyDHXMDSWWEAUAQA-UHFFFAOYSA-N
XLogP5.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.68
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-methyl-2-oxa-8-azaspiro[4.5]decane
CID 89206971
trifluoro(3-oxa-9-azaspiro[5.5]undecan-5-ylmethyl)boranuide
CID 166072845
11-methyl-4,9-dioxa-1-azaspiro[5.5]undecane
CID 130991851
3-(6-azaspiro[2.5]octan-8-yl)morpholine
CID 167222320
2-methyl-5-azaspiro[2.4]heptane
CID 91206231
(3S,4R)-3-methyl-8-azaspiro[4.5]decan-4-amine
CID 166495002
5,9-dimethyl-3-azaspiro[5.5]undecane
CID 79320887
4-(7-azaspiro[3.5]nonan-3-yl)morpholine
CID 86820562
6-propyl-2-oxa-8-azaspiro[4.5]decane
CID 79321500
6-methyl-2,8-diazaspiro[4.5]decane
CID 83680090
11-cyclopentyl-3-oxa-9-azaspiro[5.5]undecane
CID 112570802
ethane;(3S)-3-methylmorpholine
CID 145275253

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-oxa-9-azaspiro[5.5]undecane tritetrafluoroborate?
The IUPAC name of 5-methyl-3-oxa-9-azaspiro[5.5]undecane tritetrafluoroborate (CID 174191568) is 5-methyl-3-oxa-9-azaspiro[5.5]undecane tritetrafluoroborate.
What is the SMILES notation for 5-methyl-3-oxa-9-azaspiro[5.5]undecane tritetrafluoroborate?
The canonical SMILES for 5-methyl-3-oxa-9-azaspiro[5.5]undecane tritetrafluoroborate is CC1COCCC12CCNCC2.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.
What is the InChIKey of 5-methyl-3-oxa-9-azaspiro[5.5]undecane tritetrafluoroborate?
The InChIKey is DHXMDSWWEAUAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.3BF4/c1-9-8-12-7-4-10(9)2-5-11-6-3-10;3*2-1(3,4)5/h9,11H,2-8H2,1H3;;;/q;3*-1.
What are the key properties of 5-methyl-3-oxa-9-azaspiro[5.5]undecane tritetrafluoroborate?
5-methyl-3-oxa-9-azaspiro[5.5]undecane tritetrafluoroborate has a molecular weight of 429.68 g/mol, XLogP of 5.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-oxa-9-azaspiro[5.5]undecane tritetrafluoroborate is sourced from PubChem (CID 174191568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).