2-methoxyacetate;trimethyl(prop-2-enyl)phosphanium

C9H19O3P — CID 122174185

IUPAC2-methoxyacetate;trimethyl(prop-2-enyl)phosphanium
SMILESC=CC[P+](C)(C)C.COCC(=O)[O-]
InChIInChI=1S/C6H14P.C3H6O3/c1-5-6-7(2,3)4;1-6-2-3(4)5/h5H,1,6H2,2-4H3;2H2,1H3,(H,4,5)/q+1;/p-1
InChIKeyKPKMFFKLEWMXEG-UHFFFAOYSA-M
MW206.22 g/mol
LogP0.46
Rot. Bonds4

About 2-methoxyacetate;trimethyl(prop-2-enyl)phosphanium

2-methoxyacetate;trimethyl(prop-2-enyl)phosphanium (PubChem CID 122174185) has the molecular formula C9H19O3P and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-methoxyacetate;trimethyl(prop-2-enyl)phosphanium.

Molecular Properties

Compound Name2-methoxyacetate;trimethyl(prop-2-enyl)phosphanium
PubChem CID122174185
Molecular FormulaC9H19O3P
Molecular Weight206.22 g/mol
Exact Mass206.11
IUPAC Name2-methoxyacetate;trimethyl(prop-2-enyl)phosphanium
SMILESC=CC[P+](C)(C)C.COCC(=O)[O-]
InChIInChI=1S/C6H14P.C3H6O3/c1-5-6-7(2,3)4;1-6-2-3(4)5/h5H,1,6H2,2-4H3;2H2,1H3,(H,4,5)/q+1;/p-1
InChIKeyKPKMFFKLEWMXEG-UHFFFAOYSA-M
XLogP0.46
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

barium(2+);bis(2-methoxyacetate)
CID 88657250
tetrakis(prop-2-enyl)phosphanium acetate
CID 87134475
2-methoxyacetate;1-methyl-1-prop-2-enylpyrrolidin-1-ium
CID 118645014
2-prop-2-enoxyacetate
CID 19028340
lithium 2-ethenoxyacetate
CID 172773108
3-amino-1-methoxyhex-5-en-2-one
CID 116606882
ethyl-[2-(2-methoxyethoxy)ethyl]-dimethylphosphanium;2-methoxyacetate
CID 118645024
2,4-dimethylpent-1-en-3-one;4-methoxybut-1-ene
CID 157278804
diethyl-methyl-propylazanium;2-methoxyacetate
CID 118645672
diazanium;prop-1-ene;diacetate
CID 159968490
tetrakis(2-acetylpent-4-enoate);titanium(4+)
CID 173063293
(2S,3S)-2-(methoxymethyl)-3-methylhex-5-enoic acid
CID 146545497

Frequently Asked Questions

What is the IUPAC name of 2-methoxyacetate;trimethyl(prop-2-enyl)phosphanium?
The IUPAC name of 2-methoxyacetate;trimethyl(prop-2-enyl)phosphanium (CID 122174185) is 2-methoxyacetate;trimethyl(prop-2-enyl)phosphanium.
What is the SMILES notation for 2-methoxyacetate;trimethyl(prop-2-enyl)phosphanium?
The canonical SMILES for 2-methoxyacetate;trimethyl(prop-2-enyl)phosphanium is C=CC[P+](C)(C)C.COCC(=O)[O-].
What is the InChIKey of 2-methoxyacetate;trimethyl(prop-2-enyl)phosphanium?
The InChIKey is KPKMFFKLEWMXEG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H14P.C3H6O3/c1-5-6-7(2,3)4;1-6-2-3(4)5/h5H,1,6H2,2-4H3;2H2,1H3,(H,4,5)/q+1;/p-1.
What are the key properties of 2-methoxyacetate;trimethyl(prop-2-enyl)phosphanium?
2-methoxyacetate;trimethyl(prop-2-enyl)phosphanium has a molecular weight of 206.22 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyacetate;trimethyl(prop-2-enyl)phosphanium is sourced from PubChem (CID 122174185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).