2,2,4,4,6,6,8,8,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentazecane-2,4,6,8-tetraium

C9H27N5O5+4 — CID 163671634

IUPAC2,2,4,4,6,6,8,8,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentazecane-2,4,6,8-tetraium
SMILESCN1O[N+](C)(C)O[N+](C)(C)O[N+](C)(C)O[N+](C)(C)O1
InChIInChI=1S/C9H27N5O5/c1-10-15-11(2,3)17-13(6,7)19-14(8,9)18-12(4,5)16-10/h1-9H3/q+4
InChIKeyGMCMDCGQKXNDLF-UHFFFAOYSA-N
MW285.35 g/mol
LogP-0.53
Rot. Bonds

About 2,2,4,4,6,6,8,8,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentazecane-2,4,6,8-tetraium

2,2,4,4,6,6,8,8,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentazecane-2,4,6,8-tetraium (PubChem CID 163671634) has the molecular formula C9H27N5O5+4 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2,2,4,4,6,6,8,8,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentazecane-2,4,6,8-tetraium.

Molecular Properties

Compound Name2,2,4,4,6,6,8,8,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentazecane-2,4,6,8-tetraium
PubChem CID163671634
Molecular FormulaC9H27N5O5+4
Molecular Weight285.35 g/mol
Exact Mass285.20
IUPAC Name2,2,4,4,6,6,8,8,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentazecane-2,4,6,8-tetraium
SMILESCN1O[N+](C)(C)O[N+](C)(C)O[N+](C)(C)O[N+](C)(C)O1
InChIInChI=1S/C9H27N5O5/c1-10-15-11(2,3)17-13(6,7)19-14(8,9)18-12(4,5)16-10/h1-9H3/q+4
InChIKeyGMCMDCGQKXNDLF-UHFFFAOYSA-N
XLogP-0.53
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2,2,4,4,6,6,8,8,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentazecane-2,4,6,8-tetraium?
The IUPAC name of 2,2,4,4,6,6,8,8,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentazecane-2,4,6,8-tetraium (CID 163671634) is 2,2,4,4,6,6,8,8,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentazecane-2,4,6,8-tetraium.
What is the SMILES notation for 2,2,4,4,6,6,8,8,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentazecane-2,4,6,8-tetraium?
The canonical SMILES for 2,2,4,4,6,6,8,8,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentazecane-2,4,6,8-tetraium is CN1O[N+](C)(C)O[N+](C)(C)O[N+](C)(C)O[N+](C)(C)O1.
What is the InChIKey of 2,2,4,4,6,6,8,8,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentazecane-2,4,6,8-tetraium?
The InChIKey is GMCMDCGQKXNDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H27N5O5/c1-10-15-11(2,3)17-13(6,7)19-14(8,9)18-12(4,5)16-10/h1-9H3/q+4.
What are the key properties of 2,2,4,4,6,6,8,8,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentazecane-2,4,6,8-tetraium?
2,2,4,4,6,6,8,8,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentazecane-2,4,6,8-tetraium has a molecular weight of 285.35 g/mol, XLogP of -0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6,8,8,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentazecane-2,4,6,8-tetraium is sourced from PubChem (CID 163671634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).