2-methylprop-2-enoyl 4-ethoxybutanoate

C10H16O4 — CID 174272804

IUPAC2-methylprop-2-enoyl 4-ethoxybutanoate
SMILESC=C(C)C(=O)OC(=O)CCCOCC
InChIInChI=1S/C10H16O4/c1-4-13-7-5-6-9(11)14-10(12)8(2)3/h2,4-7H2,1,3H3
InChIKeyOANYPLDYWLDREZ-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.45
Rot. Bonds6

About 2-methylprop-2-enoyl 4-ethoxybutanoate

2-methylprop-2-enoyl 4-ethoxybutanoate (PubChem CID 174272804) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2-methylprop-2-enoyl 4-ethoxybutanoate.

Molecular Properties

Compound Name2-methylprop-2-enoyl 4-ethoxybutanoate
PubChem CID174272804
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2-methylprop-2-enoyl 4-ethoxybutanoate
SMILESC=C(C)C(=O)OC(=O)CCCOCC
InChIInChI=1S/C10H16O4/c1-4-13-7-5-6-9(11)14-10(12)8(2)3/h2,4-7H2,1,3H3
InChIKeyOANYPLDYWLDREZ-UHFFFAOYSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-2-enoyl pentanoate;zinc
CID 174879847
propanoyl 4-ethoxybutanoate
CID 174267345
2-methylprop-2-enoyl butanoate
CID 19018301
2-methylprop-2-enoyl decanoate;zinc
CID 174880295
2-methylprop-2-enoyl dodecanoate;zinc
CID 175007259
2-methylprop-2-enoyl butanoate;zirconium
CID 87105460
3-ethoxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 160952055
2-acetyloxyethyl 4-ethoxybutanoate
CID 23405564
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 23189778
propan-2-yl 4-(2-ethoxyethoxy)butanoate
CID 121470224
propyl 4-(2-methylprop-2-enoyloxy)butanoate
CID 157240660
5-ethoxypentaneperoxoic acid
CID 59169108

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyl 4-ethoxybutanoate?
The IUPAC name of 2-methylprop-2-enoyl 4-ethoxybutanoate (CID 174272804) is 2-methylprop-2-enoyl 4-ethoxybutanoate.
What is the SMILES notation for 2-methylprop-2-enoyl 4-ethoxybutanoate?
The canonical SMILES for 2-methylprop-2-enoyl 4-ethoxybutanoate is C=C(C)C(=O)OC(=O)CCCOCC.
What is the InChIKey of 2-methylprop-2-enoyl 4-ethoxybutanoate?
The InChIKey is OANYPLDYWLDREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-13-7-5-6-9(11)14-10(12)8(2)3/h2,4-7H2,1,3H3.
What are the key properties of 2-methylprop-2-enoyl 4-ethoxybutanoate?
2-methylprop-2-enoyl 4-ethoxybutanoate has a molecular weight of 200.23 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl 4-ethoxybutanoate is sourced from PubChem (CID 174272804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).