(E)-10-(oxan-2-yloxy)dec-2-enoic acid

C15H26O4 — CID 11207964

IUPAC(E)-10-(oxan-2-yloxy)dec-2-enoic acid
SMILESO=C(O)/C=C/CCCCCCCOC1CCCCO1
InChIInChI=1S/C15H26O4/c16-14(17)10-6-4-2-1-3-5-8-12-18-15-11-7-9-13-19-15/h6,10,15H,1-5,7-9,11-13H2,(H,16,17)/b10-6+
InChIKeyBPTBLROBMSTPAR-UXBLZVDNSA-N
MW270.37 g/mol
LogP3.51
Rot. Bonds10

About (E)-10-(oxan-2-yloxy)dec-2-enoic acid

(E)-10-(oxan-2-yloxy)dec-2-enoic acid (PubChem CID 11207964) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is (E)-10-(oxan-2-yloxy)dec-2-enoic acid.

Molecular Properties

Compound Name(E)-10-(oxan-2-yloxy)dec-2-enoic acid
PubChem CID11207964
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name(E)-10-(oxan-2-yloxy)dec-2-enoic acid
SMILESO=C(O)/C=C/CCCCCCCOC1CCCCO1
InChIInChI=1S/C15H26O4/c16-14(17)10-6-4-2-1-3-5-8-12-18-15-11-7-9-13-19-15/h6,10,15H,1-5,7-9,11-13H2,(H,16,17)/b10-6+
InChIKeyBPTBLROBMSTPAR-UXBLZVDNSA-N
XLogP3.51
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (E)-10-(oxan-2-yloxy)dec-2-enoic acid?
The IUPAC name of (E)-10-(oxan-2-yloxy)dec-2-enoic acid (CID 11207964) is (E)-10-(oxan-2-yloxy)dec-2-enoic acid.
What is the SMILES notation for (E)-10-(oxan-2-yloxy)dec-2-enoic acid?
The canonical SMILES for (E)-10-(oxan-2-yloxy)dec-2-enoic acid is O=C(O)/C=C/CCCCCCCOC1CCCCO1.
What is the InChIKey of (E)-10-(oxan-2-yloxy)dec-2-enoic acid?
The InChIKey is BPTBLROBMSTPAR-UXBLZVDNSA-N. The full InChI is InChI=1S/C15H26O4/c16-14(17)10-6-4-2-1-3-5-8-12-18-15-11-7-9-13-19-15/h6,10,15H,1-5,7-9,11-13H2,(H,16,17)/b10-6+.
What are the key properties of (E)-10-(oxan-2-yloxy)dec-2-enoic acid?
(E)-10-(oxan-2-yloxy)dec-2-enoic acid has a molecular weight of 270.37 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10-(oxan-2-yloxy)dec-2-enoic acid is sourced from PubChem (CID 11207964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).