ethyl (E)-2-acetyloxy-4-methylpent-2-enoate

C10H16O4 — CID 10954570

IUPACethyl (E)-2-acetyloxy-4-methylpent-2-enoate
SMILESCCOC(=O)/C(=C\C(C)C)OC(C)=O
InChIInChI=1S/C10H16O4/c1-5-13-10(12)9(6-7(2)3)14-8(4)11/h6-7H,5H2,1-4H3/b9-6+
InChIKeyVYLXESJVBXJKEX-RMKNXTFCSA-N
MW200.23 g/mol
LogP1.65
Rot. Bonds4

About ethyl (E)-2-acetyloxy-4-methylpent-2-enoate

ethyl (E)-2-acetyloxy-4-methylpent-2-enoate (PubChem CID 10954570) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl (E)-2-acetyloxy-4-methylpent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-acetyloxy-4-methylpent-2-enoate
PubChem CID10954570
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl (E)-2-acetyloxy-4-methylpent-2-enoate
SMILESCCOC(=O)/C(=C\C(C)C)OC(C)=O
InChIInChI=1S/C10H16O4/c1-5-13-10(12)9(6-7(2)3)14-8(4)11/h6-7H,5H2,1-4H3/b9-6+
InChIKeyVYLXESJVBXJKEX-RMKNXTFCSA-N
XLogP1.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.65
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 ethyl (E)-2-acetyloxy-4-methylpent-2-enoate?
The IUPAC name of ethyl (E)-2-acetyloxy-4-methylpent-2-enoate (CID 10954570) is ethyl (E)-2-acetyloxy-4-methylpent-2-enoate.
What is the SMILES notation for ethyl (E)-2-acetyloxy-4-methylpent-2-enoate?
The canonical SMILES for ethyl (E)-2-acetyloxy-4-methylpent-2-enoate is CCOC(=O)/C(=C\C(C)C)OC(C)=O.
What is the InChIKey of ethyl (E)-2-acetyloxy-4-methylpent-2-enoate?
The InChIKey is VYLXESJVBXJKEX-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H16O4/c1-5-13-10(12)9(6-7(2)3)14-8(4)11/h6-7H,5H2,1-4H3/b9-6+.
What are the key properties of ethyl (E)-2-acetyloxy-4-methylpent-2-enoate?
ethyl (E)-2-acetyloxy-4-methylpent-2-enoate has a molecular weight of 200.23 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-acetyloxy-4-methylpent-2-enoate is sourced from PubChem (CID 10954570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).