ethyl (E)-10-(oxan-2-yloxy)dec-2-enoate

C17H30O4 — CID 13264570

IUPACethyl (E)-10-(oxan-2-yloxy)dec-2-enoate
SMILESCCOC(=O)/C=C/CCCCCCCOC1CCCCO1
InChIInChI=1S/C17H30O4/c1-2-19-16(18)12-8-6-4-3-5-7-10-14-20-17-13-9-11-15-21-17/h8,12,17H,2-7,9-11,13-15H2,1H3/b12-8+
InChIKeyLZXLEDKUYPPUAQ-XYOKQWHBSA-N
MW298.42 g/mol
LogP3.99
Rot. Bonds11

About ethyl (E)-10-(oxan-2-yloxy)dec-2-enoate

ethyl (E)-10-(oxan-2-yloxy)dec-2-enoate (PubChem CID 13264570) has the molecular formula C17H30O4 and a molecular weight of 298.42 g/mol. Its IUPAC name is ethyl (E)-10-(oxan-2-yloxy)dec-2-enoate.

Molecular Properties

Compound Nameethyl (E)-10-(oxan-2-yloxy)dec-2-enoate
PubChem CID13264570
Molecular FormulaC17H30O4
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Nameethyl (E)-10-(oxan-2-yloxy)dec-2-enoate
SMILESCCOC(=O)/C=C/CCCCCCCOC1CCCCO1
InChIInChI=1S/C17H30O4/c1-2-19-16(18)12-8-6-4-3-5-7-10-14-20-17-13-9-11-15-21-17/h8,12,17H,2-7,9-11,13-15H2,1H3/b12-8+
InChIKeyLZXLEDKUYPPUAQ-XYOKQWHBSA-N
XLogP3.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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)-10-(oxan-2-yloxy)dec-2-enoate?
The IUPAC name of ethyl (E)-10-(oxan-2-yloxy)dec-2-enoate (CID 13264570) is ethyl (E)-10-(oxan-2-yloxy)dec-2-enoate.
What is the SMILES notation for ethyl (E)-10-(oxan-2-yloxy)dec-2-enoate?
The canonical SMILES for ethyl (E)-10-(oxan-2-yloxy)dec-2-enoate is CCOC(=O)/C=C/CCCCCCCOC1CCCCO1.
What is the InChIKey of ethyl (E)-10-(oxan-2-yloxy)dec-2-enoate?
The InChIKey is LZXLEDKUYPPUAQ-XYOKQWHBSA-N. The full InChI is InChI=1S/C17H30O4/c1-2-19-16(18)12-8-6-4-3-5-7-10-14-20-17-13-9-11-15-21-17/h8,12,17H,2-7,9-11,13-15H2,1H3/b12-8+.
What are the key properties of ethyl (E)-10-(oxan-2-yloxy)dec-2-enoate?
ethyl (E)-10-(oxan-2-yloxy)dec-2-enoate has a molecular weight of 298.42 g/mol, XLogP of 3.99, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-10-(oxan-2-yloxy)dec-2-enoate is sourced from PubChem (CID 13264570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).