(E)-14-(oxan-2-yloxy)tetradec-4-en-2-ol

C19H36O3 — CID 11243894

IUPAC(E)-14-(oxan-2-yloxy)tetradec-4-en-2-ol
SMILESCC(O)C/C=C/CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C19H36O3/c1-18(20)14-10-8-6-4-2-3-5-7-9-12-16-21-19-15-11-13-17-22-19/h8,10,18-20H,2-7,9,11-17H2,1H3/b10-8+
InChIKeyNWPXRPXQGPVUJK-CSKARUKUSA-N
MW312.49 g/mol
LogP4.98
Rot. Bonds13

About (E)-14-(oxan-2-yloxy)tetradec-4-en-2-ol

(E)-14-(oxan-2-yloxy)tetradec-4-en-2-ol (PubChem CID 11243894) has the molecular formula C19H36O3 and a molecular weight of 312.49 g/mol. Its IUPAC name is (E)-14-(oxan-2-yloxy)tetradec-4-en-2-ol.

Molecular Properties

Compound Name(E)-14-(oxan-2-yloxy)tetradec-4-en-2-ol
PubChem CID11243894
Molecular FormulaC19H36O3
Molecular Weight312.49 g/mol
Exact Mass312.27
IUPAC Name(E)-14-(oxan-2-yloxy)tetradec-4-en-2-ol
SMILESCC(O)C/C=C/CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C19H36O3/c1-18(20)14-10-8-6-4-2-3-5-7-9-12-16-21-19-15-11-13-17-22-19/h8,10,18-20H,2-7,9,11-17H2,1H3/b10-8+
InChIKeyNWPXRPXQGPVUJK-CSKARUKUSA-N
XLogP4.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-14-(oxan-2-yloxy)tetradec-4-en-2-ol?
The IUPAC name of (E)-14-(oxan-2-yloxy)tetradec-4-en-2-ol (CID 11243894) is (E)-14-(oxan-2-yloxy)tetradec-4-en-2-ol.
What is the SMILES notation for (E)-14-(oxan-2-yloxy)tetradec-4-en-2-ol?
The canonical SMILES for (E)-14-(oxan-2-yloxy)tetradec-4-en-2-ol is CC(O)C/C=C/CCCCCCCCCOC1CCCCO1.
What is the InChIKey of (E)-14-(oxan-2-yloxy)tetradec-4-en-2-ol?
The InChIKey is NWPXRPXQGPVUJK-CSKARUKUSA-N. The full InChI is InChI=1S/C19H36O3/c1-18(20)14-10-8-6-4-2-3-5-7-9-12-16-21-19-15-11-13-17-22-19/h8,10,18-20H,2-7,9,11-17H2,1H3/b10-8+.
What are the key properties of (E)-14-(oxan-2-yloxy)tetradec-4-en-2-ol?
(E)-14-(oxan-2-yloxy)tetradec-4-en-2-ol has a molecular weight of 312.49 g/mol, XLogP of 4.98, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-14-(oxan-2-yloxy)tetradec-4-en-2-ol is sourced from PubChem (CID 11243894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).