methyl (E)-3-dimethoxyphosphoryl-2-methylprop-2-enoate

C7H13O5P — CID 15247807

IUPACmethyl (E)-3-dimethoxyphosphoryl-2-methylprop-2-enoate
SMILESCOC(=O)/C(C)=C/P(=O)(OC)OC
InChIInChI=1S/C7H13O5P/c1-6(7(8)10-2)5-13(9,11-3)12-4/h5H,1-4H3/b6-5+
InChIKeyBCQCUZZHMYUINV-AATRIKPKSA-N
MW208.15 g/mol
LogP1.55
Rot. Bonds4

About methyl (E)-3-dimethoxyphosphoryl-2-methylprop-2-enoate

methyl (E)-3-dimethoxyphosphoryl-2-methylprop-2-enoate (PubChem CID 15247807) has the molecular formula C7H13O5P and a molecular weight of 208.15 g/mol. Its IUPAC name is methyl (E)-3-dimethoxyphosphoryl-2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-dimethoxyphosphoryl-2-methylprop-2-enoate
PubChem CID15247807
Molecular FormulaC7H13O5P
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Namemethyl (E)-3-dimethoxyphosphoryl-2-methylprop-2-enoate
SMILESCOC(=O)/C(C)=C/P(=O)(OC)OC
InChIInChI=1S/C7H13O5P/c1-6(7(8)10-2)5-13(9,11-3)12-4/h5H,1-4H3/b6-5+
InChIKeyBCQCUZZHMYUINV-AATRIKPKSA-N
XLogP1.55
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(3-methoxy-2-methyl-3-oxoprop-1-enyl)-propoxyphosphinic acid
CID 139781457
methyl 3-chloro-2-methylprop-2-enoate
CID 54075272
methyl (Z)-3-fluoro-2-methylprop-2-enoate
CID 12587009
methyl (E)-3-chloro-2-methylprop-2-enoate
CID 12586999
methyl (2E)-2,5-dimethylhexa-2,4-dienoate
CID 12700317
dimethyl 2-methylbut-2-enedioate
CID 12045
methyl 3-(2-methoxyethoxy)-2-methylprop-2-enoate
CID 175087641
azane;dimethyl (E)-2-methylbut-2-enedioate
CID 139366978
methyl (Z)-4-amino-2-methyl-4-oxobut-2-enoate
CID 88519783
acetic acid;methyl 2-methyl-4-oxopent-2-enoate
CID 174282398
dimethyl oxalate
CID 11120
ethanamine;methyl 2-methylbut-2-enoate
CID 175288046

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-dimethoxyphosphoryl-2-methylprop-2-enoate?
The IUPAC name of methyl (E)-3-dimethoxyphosphoryl-2-methylprop-2-enoate (CID 15247807) is methyl (E)-3-dimethoxyphosphoryl-2-methylprop-2-enoate.
What is the SMILES notation for methyl (E)-3-dimethoxyphosphoryl-2-methylprop-2-enoate?
The canonical SMILES for methyl (E)-3-dimethoxyphosphoryl-2-methylprop-2-enoate is COC(=O)/C(C)=C/P(=O)(OC)OC.
What is the InChIKey of methyl (E)-3-dimethoxyphosphoryl-2-methylprop-2-enoate?
The InChIKey is BCQCUZZHMYUINV-AATRIKPKSA-N. The full InChI is InChI=1S/C7H13O5P/c1-6(7(8)10-2)5-13(9,11-3)12-4/h5H,1-4H3/b6-5+.
What are the key properties of methyl (E)-3-dimethoxyphosphoryl-2-methylprop-2-enoate?
methyl (E)-3-dimethoxyphosphoryl-2-methylprop-2-enoate has a molecular weight of 208.15 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-dimethoxyphosphoryl-2-methylprop-2-enoate is sourced from PubChem (CID 15247807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).