11-(4-ethenylphenoxy)undecyl-trimethylazanium

C22H38NO+ — CID 169121754

IUPAC11-(4-ethenylphenoxy)undecyl-trimethylazanium
SMILESC=Cc1ccc(OCCCCCCCCCCC[N+](C)(C)C)cc1
InChIInChI=1S/C22H38NO/c1-5-21-15-17-22(18-16-21)24-20-14-12-10-8-6-7-9-11-13-19-23(2,3)4/h5,15-18H,1,6-14,19-20H2,2-4H3/q+1
InChIKeyGHMMHCVJAYJENY-UHFFFAOYSA-N
MW332.55 g/mol
LogP5.93
Rot. Bonds14

About 11-(4-ethenylphenoxy)undecyl-trimethylazanium

11-(4-ethenylphenoxy)undecyl-trimethylazanium (PubChem CID 169121754) has the molecular formula C22H38NO+ and a molecular weight of 332.55 g/mol. Its IUPAC name is 11-(4-ethenylphenoxy)undecyl-trimethylazanium.

Molecular Properties

Compound Name11-(4-ethenylphenoxy)undecyl-trimethylazanium
PubChem CID169121754
Molecular FormulaC22H38NO+
Molecular Weight332.55 g/mol
Exact Mass332.29
IUPAC Name11-(4-ethenylphenoxy)undecyl-trimethylazanium
SMILESC=Cc1ccc(OCCCCCCCCCCC[N+](C)(C)C)cc1
InChIInChI=1S/C22H38NO/c1-5-21-15-17-22(18-16-21)24-20-14-12-10-8-6-7-9-11-13-19-23(2,3)4/h5,15-18H,1,6-14,19-20H2,2-4H3/q+1
InChIKeyGHMMHCVJAYJENY-UHFFFAOYSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.55
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-4-[6-(4-ethenylphenoxy)hexoxy]benzene
CID 66919086
1-ethenyl-4-henicosoxybenzene
CID 174769675
1-ethenyl-4-[11-(4-methylphenoxy)undecoxy]benzene
CID 70667681
1-ethenyl-4-undecoxybenzene
CID 174770051
trimethyl-[12-[4-[[4-[12-(trimethylazaniumyl)dodecoxy]phenyl]diazenyl]phenoxy]dodecyl]azanium
CID 100928336
4-[6-(4-ethenylphenoxy)hexoxy]benzenesulfonate
CID 140670040
1-ethenyl-4-(4-iodobutoxy)benzene
CID 71412951
1-ethenyl-4-hex-5-enoxybenzene
CID 86167911
10-[4-[(4-butoxyphenyl)iminomethyl]phenoxy]decyl-trimethylazanium
CID 102068166
7-[4-[(4-butoxyphenyl)iminomethyl]phenoxy]heptyl-trimethylazanium
CID 102068165
trimethyl-[8-[3-[(E)-2-[3-[7-(trimethylazaniumyl)heptoxy]-5-[8-(trimethylazaniumyl)octoxy]phenyl]ethenyl]-5-[8-(trimethylazaniumyl)octoxy]phenoxy]octyl]azanium
CID 166589948
N,N-ditert-butyl-6-(4-ethenylphenoxy)hexan-1-amine
CID 68645784

Frequently Asked Questions

What is the IUPAC name of 11-(4-ethenylphenoxy)undecyl-trimethylazanium?
The IUPAC name of 11-(4-ethenylphenoxy)undecyl-trimethylazanium (CID 169121754) is 11-(4-ethenylphenoxy)undecyl-trimethylazanium.
What is the SMILES notation for 11-(4-ethenylphenoxy)undecyl-trimethylazanium?
The canonical SMILES for 11-(4-ethenylphenoxy)undecyl-trimethylazanium is C=Cc1ccc(OCCCCCCCCCCC[N+](C)(C)C)cc1.
What is the InChIKey of 11-(4-ethenylphenoxy)undecyl-trimethylazanium?
The InChIKey is GHMMHCVJAYJENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38NO/c1-5-21-15-17-22(18-16-21)24-20-14-12-10-8-6-7-9-11-13-19-23(2,3)4/h5,15-18H,1,6-14,19-20H2,2-4H3/q+1.
What are the key properties of 11-(4-ethenylphenoxy)undecyl-trimethylazanium?
11-(4-ethenylphenoxy)undecyl-trimethylazanium has a molecular weight of 332.55 g/mol, XLogP of 5.93, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-ethenylphenoxy)undecyl-trimethylazanium is sourced from PubChem (CID 169121754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).