ethyl 3-dec-9-enyloxirane-2-carboxylate

C15H26O3 — CID 12060820

IUPACethyl 3-dec-9-enyloxirane-2-carboxylate
SMILESC=CCCCCCCCCC1OC1C(=O)OCC
InChIInChI=1S/C15H26O3/c1-3-5-6-7-8-9-10-11-12-13-14(18-13)15(16)17-4-2/h3,13-14H,1,4-12H2,2H3
InChIKeyWFAZFZLSRMYQRK-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.62
Rot. Bonds11

About ethyl 3-dec-9-enyloxirane-2-carboxylate

ethyl 3-dec-9-enyloxirane-2-carboxylate (PubChem CID 12060820) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethyl 3-dec-9-enyloxirane-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-dec-9-enyloxirane-2-carboxylate
PubChem CID12060820
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Nameethyl 3-dec-9-enyloxirane-2-carboxylate
SMILESC=CCCCCCCCCC1OC1C(=O)OCC
InChIInChI=1S/C15H26O3/c1-3-5-6-7-8-9-10-11-12-13-14(18-13)15(16)17-4-2/h3,13-14H,1,4-12H2,2H3
InChIKeyWFAZFZLSRMYQRK-UHFFFAOYSA-N
XLogP3.62
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-dec-9-enyloxirane-2-carboxylate?
The IUPAC name of ethyl 3-dec-9-enyloxirane-2-carboxylate (CID 12060820) is ethyl 3-dec-9-enyloxirane-2-carboxylate.
What is the SMILES notation for ethyl 3-dec-9-enyloxirane-2-carboxylate?
The canonical SMILES for ethyl 3-dec-9-enyloxirane-2-carboxylate is C=CCCCCCCCCC1OC1C(=O)OCC.
What is the InChIKey of ethyl 3-dec-9-enyloxirane-2-carboxylate?
The InChIKey is WFAZFZLSRMYQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-3-5-6-7-8-9-10-11-12-13-14(18-13)15(16)17-4-2/h3,13-14H,1,4-12H2,2H3.
What are the key properties of ethyl 3-dec-9-enyloxirane-2-carboxylate?
ethyl 3-dec-9-enyloxirane-2-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 3.62, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-dec-9-enyloxirane-2-carboxylate is sourced from PubChem (CID 12060820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).