1-prop-2-enoyloxyethyl-[2-(trimethylazaniumyl)ethoxy]phosphanide

C10H20NO3P — CID 175035365

IUPAC1-prop-2-enoyloxyethyl-[2-(trimethylazaniumyl)ethoxy]phosphanide
SMILESC=CC(=O)OC(C)[P-]OCC[N+](C)(C)C
InChIInChI=1S/C10H20NO3P/c1-6-10(12)14-9(2)15-13-8-7-11(3,4)5/h6,9H,1,7-8H2,2-5H3
InChIKeyKVLJUSWKKGZGTO-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.65
Rot. Bonds7

About 1-prop-2-enoyloxyethyl-[2-(trimethylazaniumyl)ethoxy]phosphanide

1-prop-2-enoyloxyethyl-[2-(trimethylazaniumyl)ethoxy]phosphanide (PubChem CID 175035365) has the molecular formula C10H20NO3P and a molecular weight of 233.25 g/mol. Its IUPAC name is 1-prop-2-enoyloxyethyl-[2-(trimethylazaniumyl)ethoxy]phosphanide.

Molecular Properties

Compound Name1-prop-2-enoyloxyethyl-[2-(trimethylazaniumyl)ethoxy]phosphanide
PubChem CID175035365
Molecular FormulaC10H20NO3P
Molecular Weight233.25 g/mol
Exact Mass233.12
IUPAC Name1-prop-2-enoyloxyethyl-[2-(trimethylazaniumyl)ethoxy]phosphanide
SMILESC=CC(=O)OC(C)[P-]OCC[N+](C)(C)C
InChIInChI=1S/C10H20NO3P/c1-6-10(12)14-9(2)15-13-8-7-11(3,4)5/h6,9H,1,7-8H2,2-5H3
InChIKeyKVLJUSWKKGZGTO-UHFFFAOYSA-N
XLogP1.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-prop-2-enoyloxypropyl 2-(trimethylazaniumyl)ethyl phosphate
CID 87338155
sulfuric acid;trimethyl(2-prop-2-enoyloxyethyl)azanium
CID 87436586
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
CID 172734708
CID 172734708
azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium;sulfate
CID 172833896
5-methylhexan-2-yl prop-2-enoate
CID 151222941
trimethyl-[2-(2-prop-2-enoyloxyethoxyphosphanyloxy)ethyl]azanium
CID 16686360
trimethyl(8-prop-2-enoyloxyoctyl)azanium
CID 10060306
3-prop-2-enoyloxybutyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162118365
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
butyl 3-prop-2-enoyloxybutanoate
CID 90254320
trimethyl(3-prop-2-enoylperoxypropyl)azanium chloride
CID 160777971

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoyloxyethyl-[2-(trimethylazaniumyl)ethoxy]phosphanide?
The IUPAC name of 1-prop-2-enoyloxyethyl-[2-(trimethylazaniumyl)ethoxy]phosphanide (CID 175035365) is 1-prop-2-enoyloxyethyl-[2-(trimethylazaniumyl)ethoxy]phosphanide.
What is the SMILES notation for 1-prop-2-enoyloxyethyl-[2-(trimethylazaniumyl)ethoxy]phosphanide?
The canonical SMILES for 1-prop-2-enoyloxyethyl-[2-(trimethylazaniumyl)ethoxy]phosphanide is C=CC(=O)OC(C)[P-]OCC[N+](C)(C)C.
What is the InChIKey of 1-prop-2-enoyloxyethyl-[2-(trimethylazaniumyl)ethoxy]phosphanide?
The InChIKey is KVLJUSWKKGZGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO3P/c1-6-10(12)14-9(2)15-13-8-7-11(3,4)5/h6,9H,1,7-8H2,2-5H3.
What are the key properties of 1-prop-2-enoyloxyethyl-[2-(trimethylazaniumyl)ethoxy]phosphanide?
1-prop-2-enoyloxyethyl-[2-(trimethylazaniumyl)ethoxy]phosphanide has a molecular weight of 233.25 g/mol, XLogP of 1.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoyloxyethyl-[2-(trimethylazaniumyl)ethoxy]phosphanide is sourced from PubChem (CID 175035365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).