ethyl 2-methyl-3-methylidenephosphanylprop-2-enoate

C7H11O2P — CID 91329650

IUPACethyl 2-methyl-3-methylidenephosphanylprop-2-enoate
SMILESC=PC=C(C)C(=O)OCC
InChIInChI=1S/C7H11O2P/c1-4-9-7(8)6(2)5-10-3/h5H,3-4H2,1-2H3
InChIKeyPBEZCGKUHZQXPZ-UHFFFAOYSA-N
MW158.14 g/mol
LogP1.83
Rot. Bonds3

About ethyl 2-methyl-3-methylidenephosphanylprop-2-enoate

ethyl 2-methyl-3-methylidenephosphanylprop-2-enoate (PubChem CID 91329650) has the molecular formula C7H11O2P and a molecular weight of 158.14 g/mol. Its IUPAC name is ethyl 2-methyl-3-methylidenephosphanylprop-2-enoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-methylidenephosphanylprop-2-enoate
PubChem CID91329650
Molecular FormulaC7H11O2P
Molecular Weight158.14 g/mol
Exact Mass158.05
IUPAC Nameethyl 2-methyl-3-methylidenephosphanylprop-2-enoate
SMILESC=PC=C(C)C(=O)OCC
InChIInChI=1S/C7H11O2P/c1-4-9-7(8)6(2)5-10-3/h5H,3-4H2,1-2H3
InChIKeyPBEZCGKUHZQXPZ-UHFFFAOYSA-N
XLogP1.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.14
LogP ≤ 51.83
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'}

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Related Compounds

ethyl 3-amino-2-methylprop-2-enoate
CID 54558291
ethyl (E)-2-methylpent-2-enoate
CID 6436311
diethyl (2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedioate
CID 14755504
ethyl 2-methyl-3-silylprop-2-enoate
CID 173118701
bis(3-ethoxy-2-methyl-3-oxoprop-1-enyl) (Z)-but-2-enedioate
CID 174579403
ethyl 3-(dimethylamino)-2-methylprop-2-enoate
CID 54270575
ethyl (E)-4-bromo-2-methylbut-2-enoate;methane
CID 158230787
ethyl 3-(2-aminoethoxy)-2-methylprop-2-enoate
CID 173442797
ethyl 2-methylprop-2-enoate
CID 130475774
ethyl 3-(1-ethenoxyethoxy)-2-methylprop-2-enoate
CID 175374157
ethyl (E)-2-methyl-3-(2-methylpropoxy)prop-2-enoate
CID 153430214
ethyl 3-(2-chloroacetyl)oxy-2-methylprop-2-enoate
CID 57172104

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-methylidenephosphanylprop-2-enoate?
The IUPAC name of ethyl 2-methyl-3-methylidenephosphanylprop-2-enoate (CID 91329650) is ethyl 2-methyl-3-methylidenephosphanylprop-2-enoate.
What is the SMILES notation for ethyl 2-methyl-3-methylidenephosphanylprop-2-enoate?
The canonical SMILES for ethyl 2-methyl-3-methylidenephosphanylprop-2-enoate is C=PC=C(C)C(=O)OCC.
What is the InChIKey of ethyl 2-methyl-3-methylidenephosphanylprop-2-enoate?
The InChIKey is PBEZCGKUHZQXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O2P/c1-4-9-7(8)6(2)5-10-3/h5H,3-4H2,1-2H3.
What are the key properties of ethyl 2-methyl-3-methylidenephosphanylprop-2-enoate?
ethyl 2-methyl-3-methylidenephosphanylprop-2-enoate has a molecular weight of 158.14 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-methylidenephosphanylprop-2-enoate is sourced from PubChem (CID 91329650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).