7-(oxan-2-yloxy)hept-3-enyl acetate

C14H24O4 — CID 74259323

IUPAC7-(oxan-2-yloxy)hept-3-enyl acetate
SMILESCC(=O)OCCC=CCCCOC1CCCCO1
InChIInChI=1S/C14H24O4/c1-13(15)16-10-6-3-2-4-7-11-17-14-9-5-8-12-18-14/h2-3,14H,4-12H2,1H3
InChIKeySWLFTOXGOOFNNK-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.82
Rot. Bonds8

About 7-(oxan-2-yloxy)hept-3-enyl acetate

7-(oxan-2-yloxy)hept-3-enyl acetate (PubChem CID 74259323) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 7-(oxan-2-yloxy)hept-3-enyl acetate.

Molecular Properties

Compound Name7-(oxan-2-yloxy)hept-3-enyl acetate
PubChem CID74259323
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name7-(oxan-2-yloxy)hept-3-enyl acetate
SMILESCC(=O)OCCC=CCCCOC1CCCCO1
InChIInChI=1S/C14H24O4/c1-13(15)16-10-6-3-2-4-7-11-17-14-9-5-8-12-18-14/h2-3,14H,4-12H2,1H3
InChIKeySWLFTOXGOOFNNK-UHFFFAOYSA-N
XLogP2.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 7-(oxan-2-yloxy)hept-3-enyl acetate?
The IUPAC name of 7-(oxan-2-yloxy)hept-3-enyl acetate (CID 74259323) is 7-(oxan-2-yloxy)hept-3-enyl acetate.
What is the SMILES notation for 7-(oxan-2-yloxy)hept-3-enyl acetate?
The canonical SMILES for 7-(oxan-2-yloxy)hept-3-enyl acetate is CC(=O)OCCC=CCCCOC1CCCCO1.
What is the InChIKey of 7-(oxan-2-yloxy)hept-3-enyl acetate?
The InChIKey is SWLFTOXGOOFNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-13(15)16-10-6-3-2-4-7-11-17-14-9-5-8-12-18-14/h2-3,14H,4-12H2,1H3.
What are the key properties of 7-(oxan-2-yloxy)hept-3-enyl acetate?
7-(oxan-2-yloxy)hept-3-enyl acetate has a molecular weight of 256.34 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxan-2-yloxy)hept-3-enyl acetate is sourced from PubChem (CID 74259323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).