oxiran-2-ylmethyl 2-ethylpenta-2,3-dienoate

C10H14O3 — CID 175328543

IUPACoxiran-2-ylmethyl 2-ethylpenta-2,3-dienoate
SMILESCC=C=C(CC)C(=O)OCC1CO1
InChIInChI=1S/C10H14O3/c1-3-5-8(4-2)10(11)13-7-9-6-12-9/h3,9H,4,6-7H2,1-2H3
InChIKeyPPCPQKDVZUJQFB-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.44
Rot. Bonds4

About oxiran-2-ylmethyl 2-ethylpenta-2,3-dienoate

oxiran-2-ylmethyl 2-ethylpenta-2,3-dienoate (PubChem CID 175328543) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is oxiran-2-ylmethyl 2-ethylpenta-2,3-dienoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl 2-ethylpenta-2,3-dienoate
PubChem CID175328543
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Nameoxiran-2-ylmethyl 2-ethylpenta-2,3-dienoate
SMILESCC=C=C(CC)C(=O)OCC1CO1
InChIInChI=1S/C10H14O3/c1-3-5-8(4-2)10(11)13-7-9-6-12-9/h3,9H,4,6-7H2,1-2H3
InChIKeyPPCPQKDVZUJQFB-UHFFFAOYSA-N
XLogP1.44
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl 2-ethylpenta-2,3-dienoate?
The IUPAC name of oxiran-2-ylmethyl 2-ethylpenta-2,3-dienoate (CID 175328543) is oxiran-2-ylmethyl 2-ethylpenta-2,3-dienoate.
What is the SMILES notation for oxiran-2-ylmethyl 2-ethylpenta-2,3-dienoate?
The canonical SMILES for oxiran-2-ylmethyl 2-ethylpenta-2,3-dienoate is CC=C=C(CC)C(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl 2-ethylpenta-2,3-dienoate?
The InChIKey is PPCPQKDVZUJQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-5-8(4-2)10(11)13-7-9-6-12-9/h3,9H,4,6-7H2,1-2H3.
What are the key properties of oxiran-2-ylmethyl 2-ethylpenta-2,3-dienoate?
oxiran-2-ylmethyl 2-ethylpenta-2,3-dienoate has a molecular weight of 182.22 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl 2-ethylpenta-2,3-dienoate is sourced from PubChem (CID 175328543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).