3-[5-(5-cyclohex-2-en-1-ylidenepentoxy)pentylidene]cyclohexene

C22H34O — CID 57178155

IUPAC3-[5-(5-cyclohex-2-en-1-ylidenepentoxy)pentylidene]cyclohexene
SMILESC1=CC(=CCCCCOCCCCC=C2C=CCCC2)CCC1
InChIInChI=1S/C22H34O/c1-5-13-21(14-6-1)17-9-3-11-19-23-20-12-4-10-18-22-15-7-2-8-16-22/h5,7,13,15,17-18H,1-4,6,8-12,14,16,19-20H2
InChIKeyBISACUZKUMDAIN-UHFFFAOYSA-N
MW314.51 g/mol
LogP6.68
Rot. Bonds10

About 3-[5-(5-cyclohex-2-en-1-ylidenepentoxy)pentylidene]cyclohexene

3-[5-(5-cyclohex-2-en-1-ylidenepentoxy)pentylidene]cyclohexene (PubChem CID 57178155) has the molecular formula C22H34O and a molecular weight of 314.51 g/mol. Its IUPAC name is 3-[5-(5-cyclohex-2-en-1-ylidenepentoxy)pentylidene]cyclohexene.

Molecular Properties

Compound Name3-[5-(5-cyclohex-2-en-1-ylidenepentoxy)pentylidene]cyclohexene
PubChem CID57178155
Molecular FormulaC22H34O
Molecular Weight314.51 g/mol
Exact Mass314.26
IUPAC Name3-[5-(5-cyclohex-2-en-1-ylidenepentoxy)pentylidene]cyclohexene
SMILESC1=CC(=CCCCCOCCCCC=C2C=CCCC2)CCC1
InChIInChI=1S/C22H34O/c1-5-13-21(14-6-1)17-9-3-11-19-23-20-12-4-10-18-22-15-7-2-8-16-22/h5,7,13,15,17-18H,1-4,6,8-12,14,16,19-20H2
InChIKeyBISACUZKUMDAIN-UHFFFAOYSA-N
XLogP6.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-[5-(5-cyclohex-2-en-1-ylidenepentoxy)pentylidene]cyclohexene?
The IUPAC name of 3-[5-(5-cyclohex-2-en-1-ylidenepentoxy)pentylidene]cyclohexene (CID 57178155) is 3-[5-(5-cyclohex-2-en-1-ylidenepentoxy)pentylidene]cyclohexene.
What is the SMILES notation for 3-[5-(5-cyclohex-2-en-1-ylidenepentoxy)pentylidene]cyclohexene?
The canonical SMILES for 3-[5-(5-cyclohex-2-en-1-ylidenepentoxy)pentylidene]cyclohexene is C1=CC(=CCCCCOCCCCC=C2C=CCCC2)CCC1.
What is the InChIKey of 3-[5-(5-cyclohex-2-en-1-ylidenepentoxy)pentylidene]cyclohexene?
The InChIKey is BISACUZKUMDAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O/c1-5-13-21(14-6-1)17-9-3-11-19-23-20-12-4-10-18-22-15-7-2-8-16-22/h5,7,13,15,17-18H,1-4,6,8-12,14,16,19-20H2.
What are the key properties of 3-[5-(5-cyclohex-2-en-1-ylidenepentoxy)pentylidene]cyclohexene?
3-[5-(5-cyclohex-2-en-1-ylidenepentoxy)pentylidene]cyclohexene has a molecular weight of 314.51 g/mol, XLogP of 6.68, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-cyclohex-2-en-1-ylidenepentoxy)pentylidene]cyclohexene is sourced from PubChem (CID 57178155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).