ethyl 2-methylprop-2-enoate;phosphane

C6H13O2P — CID 159151613

IUPACethyl 2-methylprop-2-enoate;phosphane
SMILESC=C(C)C(=O)OCC.P
InChIInChI=1S/C6H10O2.H3P/c1-4-8-6(7)5(2)3;/h2,4H2,1,3H3;1H3
InChIKeyRBLPFAMYJLVKCG-UHFFFAOYSA-N
MW148.14 g/mol
LogP1.18
Rot. Bonds2

About ethyl 2-methylprop-2-enoate;phosphane

ethyl 2-methylprop-2-enoate;phosphane (PubChem CID 159151613) has the molecular formula C6H13O2P and a molecular weight of 148.14 g/mol. Its IUPAC name is ethyl 2-methylprop-2-enoate;phosphane.

Molecular Properties

Compound Nameethyl 2-methylprop-2-enoate;phosphane
PubChem CID159151613
Molecular FormulaC6H13O2P
Molecular Weight148.14 g/mol
Exact Mass148.07
IUPAC Nameethyl 2-methylprop-2-enoate;phosphane
SMILESC=C(C)C(=O)OCC.P
InChIInChI=1S/C6H10O2.H3P/c1-4-8-6(7)5(2)3;/h2,4H2,1,3H3;1H3
InChIKeyRBLPFAMYJLVKCG-UHFFFAOYSA-N
XLogP1.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 51.18
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 2-methylprop-2-enoate
CID 130475774
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;methane
CID 159235789
sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862
ethenol;ethyl 2-methylprop-2-enoate
CID 174606807
butanedioic acid;bis(ethyl 2-methylprop-2-enoate)
CID 22400036
cyanic acid;ethyl 2-methylprop-2-enoate
CID 172737974
butan-2-ol;ethyl 2-methylprop-2-enoate
CID 91162607
adamantane;ethyl 2-methylprop-2-enoate
CID 175529705
ethyl 2-methylprop-2-enoate;N-methylformamide
CID 158565771
ethyl 2-methylprop-2-enoate;isocyanic acid;2-methylprop-2-enoic acid
CID 156565147

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylprop-2-enoate;phosphane?
The IUPAC name of ethyl 2-methylprop-2-enoate;phosphane (CID 159151613) is ethyl 2-methylprop-2-enoate;phosphane.
What is the SMILES notation for ethyl 2-methylprop-2-enoate;phosphane?
The canonical SMILES for ethyl 2-methylprop-2-enoate;phosphane is C=C(C)C(=O)OCC.P.
What is the InChIKey of ethyl 2-methylprop-2-enoate;phosphane?
The InChIKey is RBLPFAMYJLVKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.H3P/c1-4-8-6(7)5(2)3;/h2,4H2,1,3H3;1H3.
What are the key properties of ethyl 2-methylprop-2-enoate;phosphane?
ethyl 2-methylprop-2-enoate;phosphane has a molecular weight of 148.14 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylprop-2-enoate;phosphane is sourced from PubChem (CID 159151613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).