didecyl-[2-(2-prop-2-enoyloxyethoxy)ethyl]azanium chloride

C27H54ClNO3 — CID 164853913

IUPACdidecyl-[2-(2-prop-2-enoyloxyethoxy)ethyl]azanium chloride
SMILESC=CC(=O)OCCOCC[NH+](CCCCCCCCCC)CCCCCCCCCC.[Cl-]
InChIInChI=1S/C27H53NO3.ClH/c1-4-7-9-11-13-15-17-19-21-28(22-20-18-16-14-12-10-8-5-2)23-24-30-25-26-31-27(29)6-3;/h6H,3-5,7-26H2,1-2H3;1H
InChIKeyOKGVSAHFNBTVKS-UHFFFAOYSA-N
MW476.19 g/mol
LogP2.90
Rot. Bonds25

About didecyl-[2-(2-prop-2-enoyloxyethoxy)ethyl]azanium chloride

didecyl-[2-(2-prop-2-enoyloxyethoxy)ethyl]azanium chloride (PubChem CID 164853913) has the molecular formula C27H54ClNO3 and a molecular weight of 476.19 g/mol. Its IUPAC name is didecyl-[2-(2-prop-2-enoyloxyethoxy)ethyl]azanium chloride.

Molecular Properties

Compound Namedidecyl-[2-(2-prop-2-enoyloxyethoxy)ethyl]azanium chloride
PubChem CID164853913
Molecular FormulaC27H54ClNO3
Molecular Weight476.19 g/mol
Exact Mass475.38
IUPAC Namedidecyl-[2-(2-prop-2-enoyloxyethoxy)ethyl]azanium chloride
SMILESC=CC(=O)OCCOCC[NH+](CCCCCCCCCC)CCCCCCCCCC.[Cl-]
InChIInChI=1S/C27H53NO3.ClH/c1-4-7-9-11-13-15-17-19-21-28(22-20-18-16-14-12-10-8-5-2)23-24-30-25-26-31-27(29)6-3;/h6H,3-5,7-26H2,1-2H3;1H
InChIKeyOKGVSAHFNBTVKS-UHFFFAOYSA-N
XLogP2.90
TPSA39.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.19
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of didecyl-[2-(2-prop-2-enoyloxyethoxy)ethyl]azanium chloride?
The IUPAC name of didecyl-[2-(2-prop-2-enoyloxyethoxy)ethyl]azanium chloride (CID 164853913) is didecyl-[2-(2-prop-2-enoyloxyethoxy)ethyl]azanium chloride.
What is the SMILES notation for didecyl-[2-(2-prop-2-enoyloxyethoxy)ethyl]azanium chloride?
The canonical SMILES for didecyl-[2-(2-prop-2-enoyloxyethoxy)ethyl]azanium chloride is C=CC(=O)OCCOCC[NH+](CCCCCCCCCC)CCCCCCCCCC.[Cl-].
What is the InChIKey of didecyl-[2-(2-prop-2-enoyloxyethoxy)ethyl]azanium chloride?
The InChIKey is OKGVSAHFNBTVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H53NO3.ClH/c1-4-7-9-11-13-15-17-19-21-28(22-20-18-16-14-12-10-8-5-2)23-24-30-25-26-31-27(29)6-3;/h6H,3-5,7-26H2,1-2H3;1H.
What are the key properties of didecyl-[2-(2-prop-2-enoyloxyethoxy)ethyl]azanium chloride?
didecyl-[2-(2-prop-2-enoyloxyethoxy)ethyl]azanium chloride has a molecular weight of 476.19 g/mol, XLogP of 2.90, 25 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for didecyl-[2-(2-prop-2-enoyloxyethoxy)ethyl]azanium chloride is sourced from PubChem (CID 164853913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).