2-dec-9-enoyloxyethyl(trimethyl)azanium

C15H30NO2+ — CID 22155840

IUPAC2-dec-9-enoyloxyethyl(trimethyl)azanium
SMILESC=CCCCCCCCC(=O)OCC[N+](C)(C)C
InChIInChI=1S/C15H30NO2/c1-5-6-7-8-9-10-11-12-15(17)18-14-13-16(2,3)4/h5H,1,6-14H2,2-4H3/q+1
InChIKeyMQYYZRFTBFAKRA-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.15
Rot. Bonds11

About 2-dec-9-enoyloxyethyl(trimethyl)azanium

2-dec-9-enoyloxyethyl(trimethyl)azanium (PubChem CID 22155840) has the molecular formula C15H30NO2+ and a molecular weight of 256.41 g/mol. Its IUPAC name is 2-dec-9-enoyloxyethyl(trimethyl)azanium.

Molecular Properties

Compound Name2-dec-9-enoyloxyethyl(trimethyl)azanium
PubChem CID22155840
Molecular FormulaC15H30NO2+
Molecular Weight256.41 g/mol
Exact Mass256.23
IUPAC Name2-dec-9-enoyloxyethyl(trimethyl)azanium
SMILESC=CCCCCCCCC(=O)OCC[N+](C)(C)C
InChIInChI=1S/C15H30NO2/c1-5-6-7-8-9-10-11-12-15(17)18-14-13-16(2,3)4/h5H,1,6-14H2,2-4H3/q+1
InChIKeyMQYYZRFTBFAKRA-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dec-9-enoyloxyethyl(trimethyl)azanium?
The IUPAC name of 2-dec-9-enoyloxyethyl(trimethyl)azanium (CID 22155840) is 2-dec-9-enoyloxyethyl(trimethyl)azanium.
What is the SMILES notation for 2-dec-9-enoyloxyethyl(trimethyl)azanium?
The canonical SMILES for 2-dec-9-enoyloxyethyl(trimethyl)azanium is C=CCCCCCCCC(=O)OCC[N+](C)(C)C.
What is the InChIKey of 2-dec-9-enoyloxyethyl(trimethyl)azanium?
The InChIKey is MQYYZRFTBFAKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30NO2/c1-5-6-7-8-9-10-11-12-15(17)18-14-13-16(2,3)4/h5H,1,6-14H2,2-4H3/q+1.
What are the key properties of 2-dec-9-enoyloxyethyl(trimethyl)azanium?
2-dec-9-enoyloxyethyl(trimethyl)azanium has a molecular weight of 256.41 g/mol, XLogP of 3.15, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dec-9-enoyloxyethyl(trimethyl)azanium is sourced from PubChem (CID 22155840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).