1-ethoxyethenyl(trimethyl)azanium bromide

C7H16BrNO — CID 134921342

IUPAC1-ethoxyethenyl(trimethyl)azanium bromide
SMILESC=C(OCC)[N+](C)(C)C.[Br-]
InChIInChI=1S/C7H16NO.BrH/c1-6-9-7(2)8(3,4)5;/h2,6H2,1,3-5H3;1H/q+1;/p-1
InChIKeyKSHNQQIVJAJPMQ-UHFFFAOYSA-M
MW210.11 g/mol
LogP-1.80
Rot. Bonds3

About 1-ethoxyethenyl(trimethyl)azanium bromide

1-ethoxyethenyl(trimethyl)azanium bromide (PubChem CID 134921342) has the molecular formula C7H16BrNO and a molecular weight of 210.11 g/mol. Its IUPAC name is 1-ethoxyethenyl(trimethyl)azanium bromide.

Molecular Properties

Compound Name1-ethoxyethenyl(trimethyl)azanium bromide
PubChem CID134921342
Molecular FormulaC7H16BrNO
Molecular Weight210.11 g/mol
Exact Mass209.04
IUPAC Name1-ethoxyethenyl(trimethyl)azanium bromide
SMILESC=C(OCC)[N+](C)(C)C.[Br-]
InChIInChI=1S/C7H16NO.BrH/c1-6-9-7(2)8(3,4)5;/h2,6H2,1,3-5H3;1H/q+1;/p-1
InChIKeyKSHNQQIVJAJPMQ-UHFFFAOYSA-M
XLogP-1.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 5-1.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethenyl(trimethyl)azanium bromide?
The IUPAC name of 1-ethoxyethenyl(trimethyl)azanium bromide (CID 134921342) is 1-ethoxyethenyl(trimethyl)azanium bromide.
What is the SMILES notation for 1-ethoxyethenyl(trimethyl)azanium bromide?
The canonical SMILES for 1-ethoxyethenyl(trimethyl)azanium bromide is C=C(OCC)[N+](C)(C)C.[Br-].
What is the InChIKey of 1-ethoxyethenyl(trimethyl)azanium bromide?
The InChIKey is KSHNQQIVJAJPMQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H16NO.BrH/c1-6-9-7(2)8(3,4)5;/h2,6H2,1,3-5H3;1H/q+1;/p-1.
What are the key properties of 1-ethoxyethenyl(trimethyl)azanium bromide?
1-ethoxyethenyl(trimethyl)azanium bromide has a molecular weight of 210.11 g/mol, XLogP of -1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethenyl(trimethyl)azanium bromide is sourced from PubChem (CID 134921342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).