2,2,4,4,7,7,9,9-octamethyl-1,3,6,8,2,4,7,9-tetraoxatetrazecane-2,4,7,9-tetraium

C10H28N4O4+4 — CID 163411892

IUPAC2,2,4,4,7,7,9,9-octamethyl-1,3,6,8,2,4,7,9-tetraoxatetrazecane-2,4,7,9-tetraium
SMILESC[N+]1(C)CO[N+](C)(C)O[N+](C)(C)CO[N+](C)(C)O1
InChIInChI=1S/C10H28N4O4/c1-11(2)9-15-14(7,8)18-12(3,4)10-16-13(5,6)17-11/h9-10H2,1-8H3/q+4
InChIKeyJULUFTADVGFIFK-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.22
Rot. Bonds

About 2,2,4,4,7,7,9,9-octamethyl-1,3,6,8,2,4,7,9-tetraoxatetrazecane-2,4,7,9-tetraium

2,2,4,4,7,7,9,9-octamethyl-1,3,6,8,2,4,7,9-tetraoxatetrazecane-2,4,7,9-tetraium (PubChem CID 163411892) has the molecular formula C10H28N4O4+4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2,2,4,4,7,7,9,9-octamethyl-1,3,6,8,2,4,7,9-tetraoxatetrazecane-2,4,7,9-tetraium.

Molecular Properties

Compound Name2,2,4,4,7,7,9,9-octamethyl-1,3,6,8,2,4,7,9-tetraoxatetrazecane-2,4,7,9-tetraium
PubChem CID163411892
Molecular FormulaC10H28N4O4+4
Molecular Weight268.36 g/mol
Exact Mass268.21
IUPAC Name2,2,4,4,7,7,9,9-octamethyl-1,3,6,8,2,4,7,9-tetraoxatetrazecane-2,4,7,9-tetraium
SMILESC[N+]1(C)CO[N+](C)(C)O[N+](C)(C)CO[N+](C)(C)O1
InChIInChI=1S/C10H28N4O4/c1-11(2)9-15-14(7,8)18-12(3,4)10-16-13(5,6)17-11/h9-10H2,1-8H3/q+4
InChIKeyJULUFTADVGFIFK-UHFFFAOYSA-N
XLogP-0.22
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2,2,4,4,7,7,9,9-octamethyl-1,3,6,8,2,4,7,9-tetraoxatetrazecane-2,4,7,9-tetraium?
The IUPAC name of 2,2,4,4,7,7,9,9-octamethyl-1,3,6,8,2,4,7,9-tetraoxatetrazecane-2,4,7,9-tetraium (CID 163411892) is 2,2,4,4,7,7,9,9-octamethyl-1,3,6,8,2,4,7,9-tetraoxatetrazecane-2,4,7,9-tetraium.
What is the SMILES notation for 2,2,4,4,7,7,9,9-octamethyl-1,3,6,8,2,4,7,9-tetraoxatetrazecane-2,4,7,9-tetraium?
The canonical SMILES for 2,2,4,4,7,7,9,9-octamethyl-1,3,6,8,2,4,7,9-tetraoxatetrazecane-2,4,7,9-tetraium is C[N+]1(C)CO[N+](C)(C)O[N+](C)(C)CO[N+](C)(C)O1.
What is the InChIKey of 2,2,4,4,7,7,9,9-octamethyl-1,3,6,8,2,4,7,9-tetraoxatetrazecane-2,4,7,9-tetraium?
The InChIKey is JULUFTADVGFIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H28N4O4/c1-11(2)9-15-14(7,8)18-12(3,4)10-16-13(5,6)17-11/h9-10H2,1-8H3/q+4.
What are the key properties of 2,2,4,4,7,7,9,9-octamethyl-1,3,6,8,2,4,7,9-tetraoxatetrazecane-2,4,7,9-tetraium?
2,2,4,4,7,7,9,9-octamethyl-1,3,6,8,2,4,7,9-tetraoxatetrazecane-2,4,7,9-tetraium has a molecular weight of 268.36 g/mol, XLogP of -0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,7,7,9,9-octamethyl-1,3,6,8,2,4,7,9-tetraoxatetrazecane-2,4,7,9-tetraium is sourced from PubChem (CID 163411892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).