(3,3,10,10-tetraethyl-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)oxidanium

C18H36NO3+ — CID 163942541

IUPAC(3,3,10,10-tetraethyl-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)oxidanium
SMILESCCC1(CC)COC2(CC(C)(C)N([OH2+])C(CC)(CC)C2)OC1
InChIInChI=1S/C18H35NO3/c1-7-16(8-2)13-21-18(22-14-16)11-15(5,6)19(20)17(9-3,10-4)12-18/h20H,7-14H2,1-6H3/p+1
InChIKeyRSGLGFXUVGNOFM-UHFFFAOYSA-O
MW314.49 g/mol
LogP3.61
Rot. Bonds4

About (3,3,10,10-tetraethyl-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)oxidanium

(3,3,10,10-tetraethyl-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)oxidanium (PubChem CID 163942541) has the molecular formula C18H36NO3+ and a molecular weight of 314.49 g/mol. Its IUPAC name is (3,3,10,10-tetraethyl-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)oxidanium.

Molecular Properties

Compound Name(3,3,10,10-tetraethyl-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)oxidanium
PubChem CID163942541
Molecular FormulaC18H36NO3+
Molecular Weight314.49 g/mol
Exact Mass314.27
IUPAC Name(3,3,10,10-tetraethyl-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)oxidanium
SMILESCCC1(CC)COC2(CC(C)(C)N([OH2+])C(CC)(CC)C2)OC1
InChIInChI=1S/C18H35NO3/c1-7-16(8-2)13-21-18(22-14-16)11-15(5,6)19(20)17(9-3,10-4)12-18/h20H,7-14H2,1-6H3/p+1
InChIKeyRSGLGFXUVGNOFM-UHFFFAOYSA-O
XLogP3.61
TPSA44.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.49
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,3,10,10-tetraethyl-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)oxidanium?
The IUPAC name of (3,3,10,10-tetraethyl-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)oxidanium (CID 163942541) is (3,3,10,10-tetraethyl-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)oxidanium.
What is the SMILES notation for (3,3,10,10-tetraethyl-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)oxidanium?
The canonical SMILES for (3,3,10,10-tetraethyl-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)oxidanium is CCC1(CC)COC2(CC(C)(C)N([OH2+])C(CC)(CC)C2)OC1.
What is the InChIKey of (3,3,10,10-tetraethyl-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)oxidanium?
The InChIKey is RSGLGFXUVGNOFM-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H35NO3/c1-7-16(8-2)13-21-18(22-14-16)11-15(5,6)19(20)17(9-3,10-4)12-18/h20H,7-14H2,1-6H3/p+1.
What are the key properties of (3,3,10,10-tetraethyl-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)oxidanium?
(3,3,10,10-tetraethyl-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)oxidanium has a molecular weight of 314.49 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,10,10-tetraethyl-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)oxidanium is sourced from PubChem (CID 163942541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).