methane;prop-2-enyl prop-2-enoate

C7H12O2 — CID 87568259

IUPACmethane;prop-2-enyl prop-2-enoate
SMILESC.C=CCOC(=O)C=C
InChIInChI=1S/C6H8O2.CH4/c1-3-5-8-6(7)4-2;/h3-4H,1-2,5H2;1H4
InChIKeyWERRGNUAVXYLMJ-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.54
Rot. Bonds3

About methane;prop-2-enyl prop-2-enoate

methane;prop-2-enyl prop-2-enoate (PubChem CID 87568259) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is methane;prop-2-enyl prop-2-enoate.

Molecular Properties

Compound Namemethane;prop-2-enyl prop-2-enoate
PubChem CID87568259
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Namemethane;prop-2-enyl prop-2-enoate
SMILESC.C=CCOC(=O)C=C
InChIInChI=1S/C6H8O2.CH4/c1-3-5-8-6(7)4-2;/h3-4H,1-2,5H2;1H4
InChIKeyWERRGNUAVXYLMJ-UHFFFAOYSA-N
XLogP1.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

buta-1,3-diene;prop-2-enyl prop-2-enoate
CID 87253709
3-hydroxyprop-2-enyl prop-2-enoate;methane
CID 173438743
bis(prop-2-enyl) (Z)-but-2-enedioate
CID 5354266
bis(prop-2-enyl) but-2-enedioate
CID 173228436
ethenyl acetate;prop-2-enyl prop-2-enoate;hydrochloride
CID 88696275
2-methylprop-2-enoic acid;prop-2-enamide;prop-2-enyl prop-2-enoate
CID 87208594
2-methylidenebutanedioic acid;prop-2-enyl prop-2-enoate
CID 87416560
[(Z)-3-chloroprop-2-enyl] prop-2-enoate
CID 5354525
buta-2,3-dienyl prop-2-enoate
CID 91383520
prop-2-enylperoxymethyl prop-2-enoate
CID 23533185
[(2E)-penta-2,4-dienyl] prop-2-enoate
CID 88501874
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091

Frequently Asked Questions

What is the IUPAC name of methane;prop-2-enyl prop-2-enoate?
The IUPAC name of methane;prop-2-enyl prop-2-enoate (CID 87568259) is methane;prop-2-enyl prop-2-enoate.
What is the SMILES notation for methane;prop-2-enyl prop-2-enoate?
The canonical SMILES for methane;prop-2-enyl prop-2-enoate is C.C=CCOC(=O)C=C.
What is the InChIKey of methane;prop-2-enyl prop-2-enoate?
The InChIKey is WERRGNUAVXYLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2.CH4/c1-3-5-8-6(7)4-2;/h3-4H,1-2,5H2;1H4.
What are the key properties of methane;prop-2-enyl prop-2-enoate?
methane;prop-2-enyl prop-2-enoate has a molecular weight of 128.17 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;prop-2-enyl prop-2-enoate is sourced from PubChem (CID 87568259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).