14-(oxan-2-yloxy)tetradecan-7-one

C19H36O3 — CID 89478594

IUPAC14-(oxan-2-yloxy)tetradecan-7-one
SMILESCCCCCCC(=O)CCCCCCCOC1CCCCO1
InChIInChI=1S/C19H36O3/c1-2-3-4-8-13-18(20)14-9-6-5-7-11-16-21-19-15-10-12-17-22-19/h19H,2-17H2,1H3
InChIKeyNFAOAKOYWRSLPK-UHFFFAOYSA-N
MW312.49 g/mol
LogP5.41
Rot. Bonds14

About 14-(oxan-2-yloxy)tetradecan-7-one

14-(oxan-2-yloxy)tetradecan-7-one (PubChem CID 89478594) has the molecular formula C19H36O3 and a molecular weight of 312.49 g/mol. Its IUPAC name is 14-(oxan-2-yloxy)tetradecan-7-one.

Molecular Properties

Compound Name14-(oxan-2-yloxy)tetradecan-7-one
PubChem CID89478594
Molecular FormulaC19H36O3
Molecular Weight312.49 g/mol
Exact Mass312.27
IUPAC Name14-(oxan-2-yloxy)tetradecan-7-one
SMILESCCCCCCC(=O)CCCCCCCOC1CCCCO1
InChIInChI=1S/C19H36O3/c1-2-3-4-8-13-18(20)14-9-6-5-7-11-16-21-19-15-10-12-17-22-19/h19H,2-17H2,1H3
InChIKeyNFAOAKOYWRSLPK-UHFFFAOYSA-N
XLogP5.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.49
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 14-(oxan-2-yloxy)tetradecan-7-one?
The IUPAC name of 14-(oxan-2-yloxy)tetradecan-7-one (CID 89478594) is 14-(oxan-2-yloxy)tetradecan-7-one.
What is the SMILES notation for 14-(oxan-2-yloxy)tetradecan-7-one?
The canonical SMILES for 14-(oxan-2-yloxy)tetradecan-7-one is CCCCCCC(=O)CCCCCCCOC1CCCCO1.
What is the InChIKey of 14-(oxan-2-yloxy)tetradecan-7-one?
The InChIKey is NFAOAKOYWRSLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O3/c1-2-3-4-8-13-18(20)14-9-6-5-7-11-16-21-19-15-10-12-17-22-19/h19H,2-17H2,1H3.
What are the key properties of 14-(oxan-2-yloxy)tetradecan-7-one?
14-(oxan-2-yloxy)tetradecan-7-one has a molecular weight of 312.49 g/mol, XLogP of 5.41, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(oxan-2-yloxy)tetradecan-7-one is sourced from PubChem (CID 89478594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).