CID 163612161

C10H30IN4O5+3 — CID 163612161

IUPAC—
SMILESC[N+]1(C)O[N+](C)(C)O[N+](C)(C)O[I-](C)(C)O[N+](C)(C)O1
InChIInChI=1S/C10H30IN4O5/c1-11(2)16-12(3,4)18-14(7,8)20-15(9,10)19-13(5,6)17-11/h1-10H3/q+3
InChIKeyGKBZKYIWZMPZTO-UHFFFAOYSA-N
MW413.28 g/mol
LogP-3.04
Rot. Bonds

About CID 163612161

CID 163612161 (PubChem CID 163612161) has the molecular formula C10H30IN4O5+3 and a molecular weight of 413.28 g/mol.

Molecular Properties

Compound NameCID 163612161
PubChem CID163612161
Molecular FormulaC10H30IN4O5+3
Molecular Weight413.28 g/mol
Exact Mass413.12
IUPAC Name—
SMILESC[N+]1(C)O[N+](C)(C)O[N+](C)(C)O[I-](C)(C)O[N+](C)(C)O1
InChIInChI=1S/C10H30IN4O5/c1-11(2)16-12(3,4)18-14(7,8)20-15(9,10)19-13(5,6)17-11/h1-10H3/q+3
InChIKeyGKBZKYIWZMPZTO-UHFFFAOYSA-N
XLogP-3.04
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.28
LogP ≤ 5-3.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 163612161?
The IUPAC name of CID 163612161 (CID 163612161) is not available.
What is the SMILES notation for CID 163612161?
The canonical SMILES for CID 163612161 is C[N+]1(C)O[N+](C)(C)O[N+](C)(C)O[I-](C)(C)O[N+](C)(C)O1.
What is the InChIKey of CID 163612161?
The InChIKey is GKBZKYIWZMPZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H30IN4O5/c1-11(2)16-12(3,4)18-14(7,8)20-15(9,10)19-13(5,6)17-11/h1-10H3/q+3.
What are the key properties of CID 163612161?
CID 163612161 has a molecular weight of 413.28 g/mol, XLogP of -3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163612161 is sourced from PubChem (CID 163612161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).