2-prop-2-enoyloxypropan-2-yl prop-2-enoate

C9H12O4 — CID 19428999

IUPAC2-prop-2-enoyloxypropan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)(C)OC(=O)C=C
InChIInChI=1S/C9H12O4/c1-5-7(10)12-9(3,4)13-8(11)6-2/h5-6H,1-2H2,3-4H3
InChIKeyNJQBKLQPVPRLFD-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.18
Rot. Bonds4

About 2-prop-2-enoyloxypropan-2-yl prop-2-enoate

2-prop-2-enoyloxypropan-2-yl prop-2-enoate (PubChem CID 19428999) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-prop-2-enoyloxypropan-2-yl prop-2-enoate.

Molecular Properties

Compound Name2-prop-2-enoyloxypropan-2-yl prop-2-enoate
PubChem CID19428999
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name2-prop-2-enoyloxypropan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)(C)OC(=O)C=C
InChIInChI=1S/C9H12O4/c1-5-7(10)12-9(3,4)13-8(11)6-2/h5-6H,1-2H2,3-4H3
InChIKeyNJQBKLQPVPRLFD-UHFFFAOYSA-N
XLogP1.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoyloxypropan-2-yl prop-2-enoate?
The IUPAC name of 2-prop-2-enoyloxypropan-2-yl prop-2-enoate (CID 19428999) is 2-prop-2-enoyloxypropan-2-yl prop-2-enoate.
What is the SMILES notation for 2-prop-2-enoyloxypropan-2-yl prop-2-enoate?
The canonical SMILES for 2-prop-2-enoyloxypropan-2-yl prop-2-enoate is C=CC(=O)OC(C)(C)OC(=O)C=C.
What is the InChIKey of 2-prop-2-enoyloxypropan-2-yl prop-2-enoate?
The InChIKey is NJQBKLQPVPRLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-5-7(10)12-9(3,4)13-8(11)6-2/h5-6H,1-2H2,3-4H3.
What are the key properties of 2-prop-2-enoyloxypropan-2-yl prop-2-enoate?
2-prop-2-enoyloxypropan-2-yl prop-2-enoate has a molecular weight of 184.19 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoyloxypropan-2-yl prop-2-enoate is sourced from PubChem (CID 19428999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).