methyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[2-(4,4,6,6-tetramethylhept-1-en-2-yloxy)ethyl]-[2-(3,3,5,5-tetramethylhexanoyloxy)ethyl]azanium

C32H60NO5+ — CID 154986768

IUPACmethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[2-(4,4,6,6-tetramethylhept-1-en-2-yloxy)ethyl]-[2-(3,3,5,5-tetramethylhexanoyloxy)ethyl]azanium
SMILESC=C(CC(C)(C)CC(C)(C)C)OCC[N+](C)(CCOC(=O)CC(C)(C)CC(C)(C)C)CCOC(=O)C(=C)C
InChIInChI=1S/C32H60NO5/c1-25(2)28(35)38-20-17-33(14,15-18-36-26(3)21-31(10,11)23-29(4,5)6)16-19-37-27(34)22-32(12,13)24-30(7,8)9/h1,3,15-24H2,2,4-14H3/q+1
InChIKeyFAUUXFUFEXOQQH-UHFFFAOYSA-N
MW538.83 g/mol
LogP7.33
Rot. Bonds17

About methyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[2-(4,4,6,6-tetramethylhept-1-en-2-yloxy)ethyl]-[2-(3,3,5,5-tetramethylhexanoyloxy)ethyl]azanium

methyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[2-(4,4,6,6-tetramethylhept-1-en-2-yloxy)ethyl]-[2-(3,3,5,5-tetramethylhexanoyloxy)ethyl]azanium (PubChem CID 154986768) has the molecular formula C32H60NO5+ and a molecular weight of 538.83 g/mol. Its IUPAC name is methyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[2-(4,4,6,6-tetramethylhept-1-en-2-yloxy)ethyl]-[2-(3,3,5,5-tetramethylhexanoyloxy)ethyl]azanium.

Molecular Properties

Compound Namemethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[2-(4,4,6,6-tetramethylhept-1-en-2-yloxy)ethyl]-[2-(3,3,5,5-tetramethylhexanoyloxy)ethyl]azanium
PubChem CID154986768
Molecular FormulaC32H60NO5+
Molecular Weight538.83 g/mol
Exact Mass538.45
IUPAC Namemethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[2-(4,4,6,6-tetramethylhept-1-en-2-yloxy)ethyl]-[2-(3,3,5,5-tetramethylhexanoyloxy)ethyl]azanium
SMILESC=C(CC(C)(C)CC(C)(C)C)OCC[N+](C)(CCOC(=O)CC(C)(C)CC(C)(C)C)CCOC(=O)C(=C)C
InChIInChI=1S/C32H60NO5/c1-25(2)28(35)38-20-17-33(14,15-18-36-26(3)21-31(10,11)23-29(4,5)6)16-19-37-27(34)22-32(12,13)24-30(7,8)9/h1,3,15-24H2,2,4-14H3/q+1
InChIKeyFAUUXFUFEXOQQH-UHFFFAOYSA-N
XLogP7.33
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.83
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze methyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[2-(4,4,6,6-tetramethylhept-1-en-2-yloxy)ethyl]-[2-(3,3,5,5-tetramethylhexanoyloxy)ethyl]azanium with MolForge

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Related Compounds

methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-bis[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 87308313
2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 6455489
methyl sulfate;methyl-tris[2-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]-4-oxobutanoyl]oxyethyl]azanium
CID 157276637
hexadecyl-methyl-bis[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide
CID 141375181
diethyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;trifluoromethanesulfonate
CID 159178640
4-carboxybutyl-methyl-bis[2-[4-(2-methylprop-2-enoyloxy)butanoyloxy]ethyl]azanium
CID 158601031
2-(3,3,3-trifluoropropanoyloxy)ethyl 2-methylprop-2-enoate
CID 87414433
chloroethane;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 19391993
methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[2-(2-methylprop-2-enoyloxy)ethyl]-(2,2,2-trifluoroethyl)azanium
CID 175967692
butyl-ethyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 172780069
3-(2-methylprop-2-enoyloxy)propane-1-sulfonate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 126739957
butyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 87942393

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[2-(4,4,6,6-tetramethylhept-1-en-2-yloxy)ethyl]-[2-(3,3,5,5-tetramethylhexanoyloxy)ethyl]azanium?
The IUPAC name of methyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[2-(4,4,6,6-tetramethylhept-1-en-2-yloxy)ethyl]-[2-(3,3,5,5-tetramethylhexanoyloxy)ethyl]azanium (CID 154986768) is methyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[2-(4,4,6,6-tetramethylhept-1-en-2-yloxy)ethyl]-[2-(3,3,5,5-tetramethylhexanoyloxy)ethyl]azanium.
What is the SMILES notation for methyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[2-(4,4,6,6-tetramethylhept-1-en-2-yloxy)ethyl]-[2-(3,3,5,5-tetramethylhexanoyloxy)ethyl]azanium?
The canonical SMILES for methyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[2-(4,4,6,6-tetramethylhept-1-en-2-yloxy)ethyl]-[2-(3,3,5,5-tetramethylhexanoyloxy)ethyl]azanium is C=C(CC(C)(C)CC(C)(C)C)OCC[N+](C)(CCOC(=O)CC(C)(C)CC(C)(C)C)CCOC(=O)C(=C)C.
What is the InChIKey of methyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[2-(4,4,6,6-tetramethylhept-1-en-2-yloxy)ethyl]-[2-(3,3,5,5-tetramethylhexanoyloxy)ethyl]azanium?
The InChIKey is FAUUXFUFEXOQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60NO5/c1-25(2)28(35)38-20-17-33(14,15-18-36-26(3)21-31(10,11)23-29(4,5)6)16-19-37-27(34)22-32(12,13)24-30(7,8)9/h1,3,15-24H2,2,4-14H3/q+1.
What are the key properties of methyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[2-(4,4,6,6-tetramethylhept-1-en-2-yloxy)ethyl]-[2-(3,3,5,5-tetramethylhexanoyloxy)ethyl]azanium?
methyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[2-(4,4,6,6-tetramethylhept-1-en-2-yloxy)ethyl]-[2-(3,3,5,5-tetramethylhexanoyloxy)ethyl]azanium has a molecular weight of 538.83 g/mol, XLogP of 7.33, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[2-(4,4,6,6-tetramethylhept-1-en-2-yloxy)ethyl]-[2-(3,3,5,5-tetramethylhexanoyloxy)ethyl]azanium is sourced from PubChem (CID 154986768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).