2-prop-2-enoyloxyethyl 2-methylidenebutanoate

C10H14O4 — CID 57033268

IUPAC2-prop-2-enoyloxyethyl 2-methylidenebutanoate
SMILESC=CC(=O)OCCOC(=O)C(=C)CC
InChIInChI=1S/C10H14O4/c1-4-8(3)10(12)14-7-6-13-9(11)5-2/h5H,2-4,6-7H2,1H3
InChIKeyDABGNQPGBXRHGH-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.23
Rot. Bonds6

About 2-prop-2-enoyloxyethyl 2-methylidenebutanoate

2-prop-2-enoyloxyethyl 2-methylidenebutanoate (PubChem CID 57033268) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-prop-2-enoyloxyethyl 2-methylidenebutanoate.

Molecular Properties

Compound Name2-prop-2-enoyloxyethyl 2-methylidenebutanoate
PubChem CID57033268
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name2-prop-2-enoyloxyethyl 2-methylidenebutanoate
SMILESC=CC(=O)OCCOC(=O)C(=C)CC
InChIInChI=1S/C10H14O4/c1-4-8(3)10(12)14-7-6-13-9(11)5-2/h5H,2-4,6-7H2,1H3
InChIKeyDABGNQPGBXRHGH-UHFFFAOYSA-N
XLogP1.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-prop-2-enoyloxyethyl 2-methylidenebutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-prop-2-enoyloxydodecyl 2-methylidenebutanoate
CID 129103082
10-prop-2-enoyloxydecyl 2-methylidenebutanoate
CID 129102751
2-prop-2-enoyloxyethyl 2-methylidenehexanoate
CID 56994433
2-prop-2-enoyloxyethyl 4,4-dihydroxy-2-methylidenebutanoate
CID 174382959
3-prop-2-enoyloxypropyl 2-methylidenehexanoate
CID 56974872
2-ethoxyethyl prop-2-enoate;2-methylidenebutanoic acid
CID 175424652
butyl 2-methylidene-6-prop-2-enoyloxyhexanoate
CID 57068152
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 159354100
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 160886159
bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate)
CID 160660181
4-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-(2-prop-2-enoyloxyethyl) (E)-but-2-enedioate
CID 178063715

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoyloxyethyl 2-methylidenebutanoate?
The IUPAC name of 2-prop-2-enoyloxyethyl 2-methylidenebutanoate (CID 57033268) is 2-prop-2-enoyloxyethyl 2-methylidenebutanoate.
What is the SMILES notation for 2-prop-2-enoyloxyethyl 2-methylidenebutanoate?
The canonical SMILES for 2-prop-2-enoyloxyethyl 2-methylidenebutanoate is C=CC(=O)OCCOC(=O)C(=C)CC.
What is the InChIKey of 2-prop-2-enoyloxyethyl 2-methylidenebutanoate?
The InChIKey is DABGNQPGBXRHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-4-8(3)10(12)14-7-6-13-9(11)5-2/h5H,2-4,6-7H2,1H3.
What are the key properties of 2-prop-2-enoyloxyethyl 2-methylidenebutanoate?
2-prop-2-enoyloxyethyl 2-methylidenebutanoate has a molecular weight of 198.22 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoyloxyethyl 2-methylidenebutanoate is sourced from PubChem (CID 57033268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).