methane;(3-methoxy-3-oxoprop-1-en-2-yl) 2-methylprop-2-enoate

C9H14O4 — CID 174791686

IUPACmethane;(3-methoxy-3-oxoprop-1-en-2-yl) 2-methylprop-2-enoate
SMILESC.C=C(C)C(=O)OC(=C)C(=O)OC
InChIInChI=1S/C8H10O4.CH4/c1-5(2)7(9)12-6(3)8(10)11-4;/h1,3H2,2,4H3;1H4
InChIKeySGBAINJJTMLXFU-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.43
Rot. Bonds3

About methane;(3-methoxy-3-oxoprop-1-en-2-yl) 2-methylprop-2-enoate

methane;(3-methoxy-3-oxoprop-1-en-2-yl) 2-methylprop-2-enoate (PubChem CID 174791686) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is methane;(3-methoxy-3-oxoprop-1-en-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Namemethane;(3-methoxy-3-oxoprop-1-en-2-yl) 2-methylprop-2-enoate
PubChem CID174791686
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Namemethane;(3-methoxy-3-oxoprop-1-en-2-yl) 2-methylprop-2-enoate
SMILESC.C=C(C)C(=O)OC(=C)C(=O)OC
InChIInChI=1S/C8H10O4.CH4/c1-5(2)7(9)12-6(3)8(10)11-4;/h1,3H2,2,4H3;1H4
InChIKeySGBAINJJTMLXFU-UHFFFAOYSA-N
XLogP1.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3-methoxy-3-oxoprop-1-en-2-yl) 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174822092
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methyl 2-methylprop-2-enoate;polane
CID 173074189
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
benzene;methane;bis(methyl 2-methylprop-2-enoate)
CID 174531928
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
azane;ethane;bis(methyl 2-methylprop-2-enoate)
CID 173203662
deuterium monohydride;methyl 2-methylprop-2-enoate
CID 161063033
carbonodithioic S,S-acid;methyl 2-methylprop-2-enoate
CID 87195360

Frequently Asked Questions

What is the IUPAC name of methane;(3-methoxy-3-oxoprop-1-en-2-yl) 2-methylprop-2-enoate?
The IUPAC name of methane;(3-methoxy-3-oxoprop-1-en-2-yl) 2-methylprop-2-enoate (CID 174791686) is methane;(3-methoxy-3-oxoprop-1-en-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for methane;(3-methoxy-3-oxoprop-1-en-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for methane;(3-methoxy-3-oxoprop-1-en-2-yl) 2-methylprop-2-enoate is C.C=C(C)C(=O)OC(=C)C(=O)OC.
What is the InChIKey of methane;(3-methoxy-3-oxoprop-1-en-2-yl) 2-methylprop-2-enoate?
The InChIKey is SGBAINJJTMLXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4.CH4/c1-5(2)7(9)12-6(3)8(10)11-4;/h1,3H2,2,4H3;1H4.
What are the key properties of methane;(3-methoxy-3-oxoprop-1-en-2-yl) 2-methylprop-2-enoate?
methane;(3-methoxy-3-oxoprop-1-en-2-yl) 2-methylprop-2-enoate has a molecular weight of 186.21 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(3-methoxy-3-oxoprop-1-en-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 174791686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).