1-prop-2-enoyloxypropan-2-yl 2-methylprop-2-enoate

C10H14O4 — CID 57198481

IUPAC1-prop-2-enoyloxypropan-2-yl 2-methylprop-2-enoate
SMILESC=CC(=O)OCC(C)OC(=O)C(=C)C
InChIInChI=1S/C10H14O4/c1-5-9(11)13-6-8(4)14-10(12)7(2)3/h5,8H,1-2,6H2,3-4H3
InChIKeyHDANPERKVWZPFC-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.22
Rot. Bonds5

About 1-prop-2-enoyloxypropan-2-yl 2-methylprop-2-enoate

1-prop-2-enoyloxypropan-2-yl 2-methylprop-2-enoate (PubChem CID 57198481) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-prop-2-enoyloxypropan-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-prop-2-enoyloxypropan-2-yl 2-methylprop-2-enoate
PubChem CID57198481
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name1-prop-2-enoyloxypropan-2-yl 2-methylprop-2-enoate
SMILESC=CC(=O)OCC(C)OC(=O)C(=C)C
InChIInChI=1S/C10H14O4/c1-5-9(11)13-6-8(4)14-10(12)7(2)3/h5,8H,1-2,6H2,3-4H3
InChIKeyHDANPERKVWZPFC-UHFFFAOYSA-N
XLogP1.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.22
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 1-prop-2-enoyloxypropan-2-yl 2-methylprop-2-enoate?
The IUPAC name of 1-prop-2-enoyloxypropan-2-yl 2-methylprop-2-enoate (CID 57198481) is 1-prop-2-enoyloxypropan-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 1-prop-2-enoyloxypropan-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 1-prop-2-enoyloxypropan-2-yl 2-methylprop-2-enoate is C=CC(=O)OCC(C)OC(=O)C(=C)C.
What is the InChIKey of 1-prop-2-enoyloxypropan-2-yl 2-methylprop-2-enoate?
The InChIKey is HDANPERKVWZPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-5-9(11)13-6-8(4)14-10(12)7(2)3/h5,8H,1-2,6H2,3-4H3.
What are the key properties of 1-prop-2-enoyloxypropan-2-yl 2-methylprop-2-enoate?
1-prop-2-enoyloxypropan-2-yl 2-methylprop-2-enoate has a molecular weight of 198.22 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoyloxypropan-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 57198481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).