1-(2-methylprop-2-enoyloxy)ethyl-oxophosphanium

C6H10O3P+ — CID 173115892

IUPAC1-(2-methylprop-2-enoyloxy)ethyl-oxophosphanium
SMILESC=C(C)C(=O)OC(C)[PH+]=O
InChIInChI=1S/C6H9O3P/c1-4(2)6(7)9-5(3)10-8/h5H,1H2,2-3H3/p+1
InChIKeyOCKWRHXSRKHLMB-UHFFFAOYSA-O
MW161.12 g/mol
LogP1.48
Rot. Bonds3

About 1-(2-methylprop-2-enoyloxy)ethyl-oxophosphanium

1-(2-methylprop-2-enoyloxy)ethyl-oxophosphanium (PubChem CID 173115892) has the molecular formula C6H10O3P+ and a molecular weight of 161.12 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoyloxy)ethyl-oxophosphanium.

Molecular Properties

Compound Name1-(2-methylprop-2-enoyloxy)ethyl-oxophosphanium
PubChem CID173115892
Molecular FormulaC6H10O3P+
Molecular Weight161.12 g/mol
Exact Mass161.04
IUPAC Name1-(2-methylprop-2-enoyloxy)ethyl-oxophosphanium
SMILESC=C(C)C(=O)OC(C)[PH+]=O
InChIInChI=1S/C6H9O3P/c1-4(2)6(7)9-5(3)10-8/h5H,1H2,2-3H3/p+1
InChIKeyOCKWRHXSRKHLMB-UHFFFAOYSA-O
XLogP1.48
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.12
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-methylprop-2-enoate
CID 146421311
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
2-(2-methylprop-2-enoyloxy)propylphosphonic acid
CID 19789204
1-acetyloxyethyl 2-methylprop-2-enoate
CID 18517368
(1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 54304297
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
calcium 1-(2-methylprop-2-enoyloxy)ethanesulfonic acid
CID 19966600
diaminomethyl 2-methylprop-2-enoate
CID 18522879
2,2-bis(2-methylprop-2-enoyloxy)acetic acid
CID 56621773
1-hydroxysulfanylethyl 2-methylprop-2-enoate
CID 23363156
methanol;2-(2-methylprop-2-enoyloxy)propanoic acid
CID 174868597

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enoyloxy)ethyl-oxophosphanium?
The IUPAC name of 1-(2-methylprop-2-enoyloxy)ethyl-oxophosphanium (CID 173115892) is 1-(2-methylprop-2-enoyloxy)ethyl-oxophosphanium.
What is the SMILES notation for 1-(2-methylprop-2-enoyloxy)ethyl-oxophosphanium?
The canonical SMILES for 1-(2-methylprop-2-enoyloxy)ethyl-oxophosphanium is C=C(C)C(=O)OC(C)[PH+]=O.
What is the InChIKey of 1-(2-methylprop-2-enoyloxy)ethyl-oxophosphanium?
The InChIKey is OCKWRHXSRKHLMB-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H9O3P/c1-4(2)6(7)9-5(3)10-8/h5H,1H2,2-3H3/p+1.
What are the key properties of 1-(2-methylprop-2-enoyloxy)ethyl-oxophosphanium?
1-(2-methylprop-2-enoyloxy)ethyl-oxophosphanium has a molecular weight of 161.12 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enoyloxy)ethyl-oxophosphanium is sourced from PubChem (CID 173115892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).