8-(2-oct-7-enoxyhexoxy)oct-1-ene

C22H42O2 — CID 71465050

IUPAC8-(2-oct-7-enoxyhexoxy)oct-1-ene
SMILESC=CCCCCCCOCC(CCCC)OCCCCCCC=C
InChIInChI=1S/C22H42O2/c1-4-7-10-12-14-16-19-23-21-22(18-9-6-3)24-20-17-15-13-11-8-5-2/h4-5,22H,1-2,6-21H2,3H3
InChIKeyLMQHXMHYFOXUAC-UHFFFAOYSA-N
MW338.58 g/mol
LogP6.85
Rot. Bonds20

About 8-(2-oct-7-enoxyhexoxy)oct-1-ene

8-(2-oct-7-enoxyhexoxy)oct-1-ene (PubChem CID 71465050) has the molecular formula C22H42O2 and a molecular weight of 338.58 g/mol. Its IUPAC name is 8-(2-oct-7-enoxyhexoxy)oct-1-ene.

Molecular Properties

Compound Name8-(2-oct-7-enoxyhexoxy)oct-1-ene
PubChem CID71465050
Molecular FormulaC22H42O2
Molecular Weight338.58 g/mol
Exact Mass338.32
IUPAC Name8-(2-oct-7-enoxyhexoxy)oct-1-ene
SMILESC=CCCCCCCOCC(CCCC)OCCCCCCC=C
InChIInChI=1S/C22H42O2/c1-4-7-10-12-14-16-19-23-21-22(18-9-6-3)24-20-17-15-13-11-8-5-2/h4-5,22H,1-2,6-21H2,3H3
InChIKeyLMQHXMHYFOXUAC-UHFFFAOYSA-N
XLogP6.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 8-(2-oct-7-enoxyhexoxy)oct-1-ene?
The IUPAC name of 8-(2-oct-7-enoxyhexoxy)oct-1-ene (CID 71465050) is 8-(2-oct-7-enoxyhexoxy)oct-1-ene.
What is the SMILES notation for 8-(2-oct-7-enoxyhexoxy)oct-1-ene?
The canonical SMILES for 8-(2-oct-7-enoxyhexoxy)oct-1-ene is C=CCCCCCCOCC(CCCC)OCCCCCCC=C.
What is the InChIKey of 8-(2-oct-7-enoxyhexoxy)oct-1-ene?
The InChIKey is LMQHXMHYFOXUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O2/c1-4-7-10-12-14-16-19-23-21-22(18-9-6-3)24-20-17-15-13-11-8-5-2/h4-5,22H,1-2,6-21H2,3H3.
What are the key properties of 8-(2-oct-7-enoxyhexoxy)oct-1-ene?
8-(2-oct-7-enoxyhexoxy)oct-1-ene has a molecular weight of 338.58 g/mol, XLogP of 6.85, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-oct-7-enoxyhexoxy)oct-1-ene is sourced from PubChem (CID 71465050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).