6-hept-6-enoyloxyhexyl hept-6-enoate

C20H34O4 — CID 88764374

IUPAC6-hept-6-enoyloxyhexyl hept-6-enoate
SMILESC=CCCCCC(=O)OCCCCCCOC(=O)CCCCC=C
InChIInChI=1S/C20H34O4/c1-3-5-7-11-15-19(21)23-17-13-9-10-14-18-24-20(22)16-12-8-6-4-2/h3-4H,1-2,5-18H2
InChIKeyZLFHQNMWQNPEMJ-UHFFFAOYSA-N
MW338.49 g/mol
LogP5.13
Rot. Bonds17

About 6-hept-6-enoyloxyhexyl hept-6-enoate

6-hept-6-enoyloxyhexyl hept-6-enoate (PubChem CID 88764374) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is 6-hept-6-enoyloxyhexyl hept-6-enoate.

Molecular Properties

Compound Name6-hept-6-enoyloxyhexyl hept-6-enoate
PubChem CID88764374
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name6-hept-6-enoyloxyhexyl hept-6-enoate
SMILESC=CCCCCC(=O)OCCCCCCOC(=O)CCCCC=C
InChIInChI=1S/C20H34O4/c1-3-5-7-11-15-19(21)23-17-13-9-10-14-18-24-20(22)16-12-8-6-4-2/h3-4H,1-2,5-18H2
InChIKeyZLFHQNMWQNPEMJ-UHFFFAOYSA-N
XLogP5.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 55.13
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 6-hept-6-enoyloxyhexyl hept-6-enoate?
The IUPAC name of 6-hept-6-enoyloxyhexyl hept-6-enoate (CID 88764374) is 6-hept-6-enoyloxyhexyl hept-6-enoate.
What is the SMILES notation for 6-hept-6-enoyloxyhexyl hept-6-enoate?
The canonical SMILES for 6-hept-6-enoyloxyhexyl hept-6-enoate is C=CCCCCC(=O)OCCCCCCOC(=O)CCCCC=C.
What is the InChIKey of 6-hept-6-enoyloxyhexyl hept-6-enoate?
The InChIKey is ZLFHQNMWQNPEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4/c1-3-5-7-11-15-19(21)23-17-13-9-10-14-18-24-20(22)16-12-8-6-4-2/h3-4H,1-2,5-18H2.
What are the key properties of 6-hept-6-enoyloxyhexyl hept-6-enoate?
6-hept-6-enoyloxyhexyl hept-6-enoate has a molecular weight of 338.49 g/mol, XLogP of 5.13, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hept-6-enoyloxyhexyl hept-6-enoate is sourced from PubChem (CID 88764374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).