propan-2-yl (E)-4-prop-2-enoyloxypent-3-enoate

C11H16O4 — CID 173381603

IUPACpropan-2-yl (E)-4-prop-2-enoyloxypent-3-enoate
SMILESC=CC(=O)O/C(C)=C/CC(=O)OC(C)C
InChIInChI=1S/C11H16O4/c1-5-10(12)15-9(4)6-7-11(13)14-8(2)3/h5-6,8H,1,7H2,2-4H3/b9-6+
InChIKeyRATOOIXACCPFDV-RMKNXTFCSA-N
MW212.24 g/mol
LogP1.96
Rot. Bonds5

About propan-2-yl (E)-4-prop-2-enoyloxypent-3-enoate

propan-2-yl (E)-4-prop-2-enoyloxypent-3-enoate (PubChem CID 173381603) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is propan-2-yl (E)-4-prop-2-enoyloxypent-3-enoate.

Molecular Properties

Compound Namepropan-2-yl (E)-4-prop-2-enoyloxypent-3-enoate
PubChem CID173381603
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namepropan-2-yl (E)-4-prop-2-enoyloxypent-3-enoate
SMILESC=CC(=O)O/C(C)=C/CC(=O)OC(C)C
InChIInChI=1S/C11H16O4/c1-5-10(12)15-9(4)6-7-11(13)14-8(2)3/h5-6,8H,1,7H2,2-4H3/b9-6+
InChIKeyRATOOIXACCPFDV-RMKNXTFCSA-N
XLogP1.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (E)-4-prop-2-enoyloxypent-3-enoate?
The IUPAC name of propan-2-yl (E)-4-prop-2-enoyloxypent-3-enoate (CID 173381603) is propan-2-yl (E)-4-prop-2-enoyloxypent-3-enoate.
What is the SMILES notation for propan-2-yl (E)-4-prop-2-enoyloxypent-3-enoate?
The canonical SMILES for propan-2-yl (E)-4-prop-2-enoyloxypent-3-enoate is C=CC(=O)O/C(C)=C/CC(=O)OC(C)C.
What is the InChIKey of propan-2-yl (E)-4-prop-2-enoyloxypent-3-enoate?
The InChIKey is RATOOIXACCPFDV-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H16O4/c1-5-10(12)15-9(4)6-7-11(13)14-8(2)3/h5-6,8H,1,7H2,2-4H3/b9-6+.
What are the key properties of propan-2-yl (E)-4-prop-2-enoyloxypent-3-enoate?
propan-2-yl (E)-4-prop-2-enoyloxypent-3-enoate has a molecular weight of 212.24 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (E)-4-prop-2-enoyloxypent-3-enoate is sourced from PubChem (CID 173381603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).