2-methylprop-2-enoic acid;triphenylphosphane

C22H21O2P — CID 173320900

IUPAC2-methylprop-2-enoic acid;triphenylphosphane
SMILESC=C(C)C(=O)O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C4H6O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3(2)4(5)6/h1-15H;1H2,2H3,(H,5,6)
InChIKeyIQJCKNAATAJOBN-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.09
Rot. Bonds4

About 2-methylprop-2-enoic acid;triphenylphosphane

2-methylprop-2-enoic acid;triphenylphosphane (PubChem CID 173320900) has the molecular formula C22H21O2P and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;triphenylphosphane.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;triphenylphosphane
PubChem CID173320900
Molecular FormulaC22H21O2P
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name2-methylprop-2-enoic acid;triphenylphosphane
SMILESC=C(C)C(=O)O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C4H6O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3(2)4(5)6/h1-15H;1H2,2H3,(H,5,6)
InChIKeyIQJCKNAATAJOBN-UHFFFAOYSA-N
XLogP4.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;triphenylphosphane?
The IUPAC name of 2-methylprop-2-enoic acid;triphenylphosphane (CID 173320900) is 2-methylprop-2-enoic acid;triphenylphosphane.
What is the SMILES notation for 2-methylprop-2-enoic acid;triphenylphosphane?
The canonical SMILES for 2-methylprop-2-enoic acid;triphenylphosphane is C=C(C)C(=O)O.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-methylprop-2-enoic acid;triphenylphosphane?
The InChIKey is IQJCKNAATAJOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C4H6O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3(2)4(5)6/h1-15H;1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;triphenylphosphane?
2-methylprop-2-enoic acid;triphenylphosphane has a molecular weight of 348.38 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;triphenylphosphane is sourced from PubChem (CID 173320900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).