1-phosphanylpropyl 2-methylprop-2-enoate

C7H13O2P — CID 155643080

IUPAC1-phosphanylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(P)CC
InChIInChI=1S/C7H13O2P/c1-4-6(10)9-7(8)5(2)3/h6H,2,4,10H2,1,3H3
InChIKeyGFVGLKUNRYXRPN-UHFFFAOYSA-N
MW160.15 g/mol
LogP1.72
Rot. Bonds3

About 1-phosphanylpropyl 2-methylprop-2-enoate

1-phosphanylpropyl 2-methylprop-2-enoate (PubChem CID 155643080) has the molecular formula C7H13O2P and a molecular weight of 160.15 g/mol. Its IUPAC name is 1-phosphanylpropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-phosphanylpropyl 2-methylprop-2-enoate
PubChem CID155643080
Molecular FormulaC7H13O2P
Molecular Weight160.15 g/mol
Exact Mass160.07
IUPAC Name1-phosphanylpropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(P)CC
InChIInChI=1S/C7H13O2P/c1-4-6(10)9-7(8)5(2)3/h6H,2,4,10H2,1,3H3
InChIKeyGFVGLKUNRYXRPN-UHFFFAOYSA-N
XLogP1.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-phosphanylpropyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethoxymethyl 2-methylprop-2-enoate
CID 23110377
[2-methyl-1-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139940333
(1,1-dichloro-1-silylbutan-2-yl) 2-methylprop-2-enoate
CID 173234354
propan-2-yl 2-methylprop-2-enoate
CID 146421311
methyl 2-(2-methylprop-2-enoyloxy)butanoate
CID 88580256
1-cyanopropyl 2-methylprop-2-enoate
CID 22596498
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
(1-cyanato-2-methylbutyl) 2-methylprop-2-enoate
CID 151832638
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
1,3-diaminopentyl 2-methylprop-2-enoate
CID 174899731
1-butan-2-ylsulfanylethyl 2-methylprop-2-enoate
CID 175309883
ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)propyl]azanium
CID 87570281

Frequently Asked Questions

What is the IUPAC name of 1-phosphanylpropyl 2-methylprop-2-enoate?
The IUPAC name of 1-phosphanylpropyl 2-methylprop-2-enoate (CID 155643080) is 1-phosphanylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-phosphanylpropyl 2-methylprop-2-enoate?
The canonical SMILES for 1-phosphanylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(P)CC.
What is the InChIKey of 1-phosphanylpropyl 2-methylprop-2-enoate?
The InChIKey is GFVGLKUNRYXRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O2P/c1-4-6(10)9-7(8)5(2)3/h6H,2,4,10H2,1,3H3.
What are the key properties of 1-phosphanylpropyl 2-methylprop-2-enoate?
1-phosphanylpropyl 2-methylprop-2-enoate has a molecular weight of 160.15 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphanylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 155643080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).