ethyl 3-acetyloxy-4-methylpent-2-enoate

C10H16O4 — CID 71368542

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

About ethyl 3-acetyloxy-4-methylpent-2-enoate

ethyl 3-acetyloxy-4-methylpent-2-enoate (PubChem CID 71368542) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl 3-acetyloxy-4-methylpent-2-enoate.

Molecular Properties

Compound Nameethyl 3-acetyloxy-4-methylpent-2-enoate
PubChem CID71368542
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl 3-acetyloxy-4-methylpent-2-enoate
SMILESCCOC(=O)C=C(OC(C)=O)C(C)C
InChIInChI=1S/C10H16O4/c1-5-13-10(12)6-9(7(2)3)14-8(4)11/h6-7H,5H2,1-4H3
InChIKeyHOKXJQWBZUGIAF-UHFFFAOYSA-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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Related Compounds

ethyl (E)-3-amino-4-methylpent-2-enoate
CID 11579171
ethyl 3-hydroxy-4-methylpent-2-enoate
CID 71406966
ethyl (Z,4R)-4-fluoro-3-methylpent-2-enoate
CID 51777340
ethyl 3-hydroxybut-2-enoate
CID 54692957
CID 57369572
CID 57369572
ethyl (E)-3,7-dimethyloct-2-enoate
CID 87604392
CID 59042173
CID 59042173
ethyl 3-methoxy-5-methylhex-2-enoate
CID 54510304
ethyl 3,4-dimethylhept-2-enoate
CID 123957528
ethyl (Z)-4-bromo-3-methylbut-2-enoate
CID 10442996
ethyl (Z)-4-amino-3-methylbut-2-enoate
CID 87890054
ethanol;bis(ethyl 3-hydroxybut-2-enoate);titanium
CID 176729456

Frequently Asked Questions

What is the IUPAC name of ethyl 3-acetyloxy-4-methylpent-2-enoate?
The IUPAC name of ethyl 3-acetyloxy-4-methylpent-2-enoate (CID 71368542) is ethyl 3-acetyloxy-4-methylpent-2-enoate.
What is the SMILES notation for ethyl 3-acetyloxy-4-methylpent-2-enoate?
The canonical SMILES for ethyl 3-acetyloxy-4-methylpent-2-enoate is CCOC(=O)C=C(OC(C)=O)C(C)C.
What is the InChIKey of ethyl 3-acetyloxy-4-methylpent-2-enoate?
The InChIKey is HOKXJQWBZUGIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-5-13-10(12)6-9(7(2)3)14-8(4)11/h6-7H,5H2,1-4H3.
What are the key properties of ethyl 3-acetyloxy-4-methylpent-2-enoate?
ethyl 3-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 3-acetyloxy-4-methylpent-2-enoate is sourced from PubChem (CID 71368542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).