3,3,4,4,8,8,9,9-octamethyl-2,7-dimethylidene-1,6-dioxa-4,9-diazoniaspiro[4.4]nonane

C15H28N2O2+2 — CID 20672934

IUPAC3,3,4,4,8,8,9,9-octamethyl-2,7-dimethylidene-1,6-dioxa-4,9-diazoniaspiro[4.4]nonane
SMILESC=C1OC2(OC(=C)C(C)(C)[N+]2(C)C)[N+](C)(C)C1(C)C
InChIInChI=1S/C15H28N2O2/c1-11-13(3,4)16(7,8)15(18-11)17(9,10)14(5,6)12(2)19-15/h1-2H2,3-10H3/q+2
InChIKeyWPEOIOJELLITJQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.40
Rot. Bonds

About 3,3,4,4,8,8,9,9-octamethyl-2,7-dimethylidene-1,6-dioxa-4,9-diazoniaspiro[4.4]nonane

3,3,4,4,8,8,9,9-octamethyl-2,7-dimethylidene-1,6-dioxa-4,9-diazoniaspiro[4.4]nonane (PubChem CID 20672934) has the molecular formula C15H28N2O2+2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3,3,4,4,8,8,9,9-octamethyl-2,7-dimethylidene-1,6-dioxa-4,9-diazoniaspiro[4.4]nonane.

Molecular Properties

Compound Name3,3,4,4,8,8,9,9-octamethyl-2,7-dimethylidene-1,6-dioxa-4,9-diazoniaspiro[4.4]nonane
PubChem CID20672934
Molecular FormulaC15H28N2O2+2
Molecular Weight268.40 g/mol
Exact Mass268.21
IUPAC Name3,3,4,4,8,8,9,9-octamethyl-2,7-dimethylidene-1,6-dioxa-4,9-diazoniaspiro[4.4]nonane
SMILESC=C1OC2(OC(=C)C(C)(C)[N+]2(C)C)[N+](C)(C)C1(C)C
InChIInChI=1S/C15H28N2O2/c1-11-13(3,4)16(7,8)15(18-11)17(9,10)14(5,6)12(2)19-15/h1-2H2,3-10H3/q+2
InChIKeyWPEOIOJELLITJQ-UHFFFAOYSA-N
XLogP2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3,3,4,4,8,8,9,9-octamethyl-2,7-dimethylidene-1,6-dioxa-4,9-diazoniaspiro[4.4]nonane?
The IUPAC name of 3,3,4,4,8,8,9,9-octamethyl-2,7-dimethylidene-1,6-dioxa-4,9-diazoniaspiro[4.4]nonane (CID 20672934) is 3,3,4,4,8,8,9,9-octamethyl-2,7-dimethylidene-1,6-dioxa-4,9-diazoniaspiro[4.4]nonane.
What is the SMILES notation for 3,3,4,4,8,8,9,9-octamethyl-2,7-dimethylidene-1,6-dioxa-4,9-diazoniaspiro[4.4]nonane?
The canonical SMILES for 3,3,4,4,8,8,9,9-octamethyl-2,7-dimethylidene-1,6-dioxa-4,9-diazoniaspiro[4.4]nonane is C=C1OC2(OC(=C)C(C)(C)[N+]2(C)C)[N+](C)(C)C1(C)C.
What is the InChIKey of 3,3,4,4,8,8,9,9-octamethyl-2,7-dimethylidene-1,6-dioxa-4,9-diazoniaspiro[4.4]nonane?
The InChIKey is WPEOIOJELLITJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-11-13(3,4)16(7,8)15(18-11)17(9,10)14(5,6)12(2)19-15/h1-2H2,3-10H3/q+2.
What are the key properties of 3,3,4,4,8,8,9,9-octamethyl-2,7-dimethylidene-1,6-dioxa-4,9-diazoniaspiro[4.4]nonane?
3,3,4,4,8,8,9,9-octamethyl-2,7-dimethylidene-1,6-dioxa-4,9-diazoniaspiro[4.4]nonane has a molecular weight of 268.40 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,8,8,9,9-octamethyl-2,7-dimethylidene-1,6-dioxa-4,9-diazoniaspiro[4.4]nonane is sourced from PubChem (CID 20672934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).