ethyl-dimethoxy-(1-prop-2-enoyloxyethoxy)azanium

C9H18NO5+ — CID 174899097

IUPACethyl-dimethoxy-(1-prop-2-enoyloxyethoxy)azanium
SMILESC=CC(=O)OC(C)O[N+](CC)(OC)OC
InChIInChI=1S/C9H18NO5/c1-6-9(11)14-8(3)15-10(7-2,12-4)13-5/h6,8H,1,7H2,2-5H3/q+1
InChIKeyFEFWWYGLNKCPPN-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.95
Rot. Bonds7

About ethyl-dimethoxy-(1-prop-2-enoyloxyethoxy)azanium

ethyl-dimethoxy-(1-prop-2-enoyloxyethoxy)azanium (PubChem CID 174899097) has the molecular formula C9H18NO5+ and a molecular weight of 220.24 g/mol. Its IUPAC name is ethyl-dimethoxy-(1-prop-2-enoyloxyethoxy)azanium.

Molecular Properties

Compound Nameethyl-dimethoxy-(1-prop-2-enoyloxyethoxy)azanium
PubChem CID174899097
Molecular FormulaC9H18NO5+
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Nameethyl-dimethoxy-(1-prop-2-enoyloxyethoxy)azanium
SMILESC=CC(=O)OC(C)O[N+](CC)(OC)OC
InChIInChI=1S/C9H18NO5/c1-6-9(11)14-8(3)15-10(7-2,12-4)13-5/h6,8H,1,7H2,2-5H3/q+1
InChIKeyFEFWWYGLNKCPPN-UHFFFAOYSA-N
XLogP0.95
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-dimethoxy-(1-prop-2-enoyloxyethoxy)azanium?
The IUPAC name of ethyl-dimethoxy-(1-prop-2-enoyloxyethoxy)azanium (CID 174899097) is ethyl-dimethoxy-(1-prop-2-enoyloxyethoxy)azanium.
What is the SMILES notation for ethyl-dimethoxy-(1-prop-2-enoyloxyethoxy)azanium?
The canonical SMILES for ethyl-dimethoxy-(1-prop-2-enoyloxyethoxy)azanium is C=CC(=O)OC(C)O[N+](CC)(OC)OC.
What is the InChIKey of ethyl-dimethoxy-(1-prop-2-enoyloxyethoxy)azanium?
The InChIKey is FEFWWYGLNKCPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18NO5/c1-6-9(11)14-8(3)15-10(7-2,12-4)13-5/h6,8H,1,7H2,2-5H3/q+1.
What are the key properties of ethyl-dimethoxy-(1-prop-2-enoyloxyethoxy)azanium?
ethyl-dimethoxy-(1-prop-2-enoyloxyethoxy)azanium has a molecular weight of 220.24 g/mol, XLogP of 0.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethoxy-(1-prop-2-enoyloxyethoxy)azanium is sourced from PubChem (CID 174899097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).