2-acetyloxypropyl 2-methylprop-2-enoate

C9H14O4 — CID 19357487

IUPAC2-acetyloxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)OC(C)=O
InChIInChI=1S/C9H14O4/c1-6(2)9(11)12-5-7(3)13-8(4)10/h7H,1,5H2,2-4H3
InChIKeyYVFMZKDYZIPDRK-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.06
Rot. Bonds4

About 2-acetyloxypropyl 2-methylprop-2-enoate

2-acetyloxypropyl 2-methylprop-2-enoate (PubChem CID 19357487) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-acetyloxypropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-acetyloxypropyl 2-methylprop-2-enoate
PubChem CID19357487
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name2-acetyloxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)OC(C)=O
InChIInChI=1S/C9H14O4/c1-6(2)9(11)12-5-7(3)13-8(4)10/h7H,1,5H2,2-4H3
InChIKeyYVFMZKDYZIPDRK-UHFFFAOYSA-N
XLogP1.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-acetyloxypropyl 2-methylprop-2-enoate?
The IUPAC name of 2-acetyloxypropyl 2-methylprop-2-enoate (CID 19357487) is 2-acetyloxypropyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-acetyloxypropyl 2-methylprop-2-enoate?
The canonical SMILES for 2-acetyloxypropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)OC(C)=O.
What is the InChIKey of 2-acetyloxypropyl 2-methylprop-2-enoate?
The InChIKey is YVFMZKDYZIPDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-6(2)9(11)12-5-7(3)13-8(4)10/h7H,1,5H2,2-4H3.
What are the key properties of 2-acetyloxypropyl 2-methylprop-2-enoate?
2-acetyloxypropyl 2-methylprop-2-enoate has a molecular weight of 186.21 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxypropyl 2-methylprop-2-enoate is sourced from PubChem (CID 19357487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).