1-(4-methoxybutoxy)-4-[4-[2-(4-methylidenecyclohexyl)ethenyl]cyclohexyl]benzene

C26H38O2 — CID 59498969

IUPAC1-(4-methoxybutoxy)-4-[4-[2-(4-methylidenecyclohexyl)ethenyl]cyclohexyl]benzene
SMILESC=C1CCC(C=CC2CCC(c3ccc(OCCCCOC)cc3)CC2)CC1
InChIInChI=1S/C26H38O2/c1-21-5-7-22(8-6-21)9-10-23-11-13-24(14-12-23)25-15-17-26(18-16-25)28-20-4-3-19-27-2/h9-10,15-18,22-24H,1,3-8,11-14,19-20H2,2H3
InChIKeyAZPZAGLJMYQJMS-UHFFFAOYSA-N
MW382.59 g/mol
LogP7.07
Rot. Bonds9

About 1-(4-methoxybutoxy)-4-[4-[2-(4-methylidenecyclohexyl)ethenyl]cyclohexyl]benzene

1-(4-methoxybutoxy)-4-[4-[2-(4-methylidenecyclohexyl)ethenyl]cyclohexyl]benzene (PubChem CID 59498969) has the molecular formula C26H38O2 and a molecular weight of 382.59 g/mol. Its IUPAC name is 1-(4-methoxybutoxy)-4-[4-[2-(4-methylidenecyclohexyl)ethenyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-(4-methoxybutoxy)-4-[4-[2-(4-methylidenecyclohexyl)ethenyl]cyclohexyl]benzene
PubChem CID59498969
Molecular FormulaC26H38O2
Molecular Weight382.59 g/mol
Exact Mass382.29
IUPAC Name1-(4-methoxybutoxy)-4-[4-[2-(4-methylidenecyclohexyl)ethenyl]cyclohexyl]benzene
SMILESC=C1CCC(C=CC2CCC(c3ccc(OCCCCOC)cc3)CC2)CC1
InChIInChI=1S/C26H38O2/c1-21-5-7-22(8-6-21)9-10-23-11-13-24(14-12-23)25-15-17-26(18-16-25)28-20-4-3-19-27-2/h9-10,15-18,22-24H,1,3-8,11-14,19-20H2,2H3
InChIKeyAZPZAGLJMYQJMS-UHFFFAOYSA-N
XLogP7.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 57.07
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 1-(4-methoxybutoxy)-4-[4-[2-(4-methylidenecyclohexyl)ethenyl]cyclohexyl]benzene?
The IUPAC name of 1-(4-methoxybutoxy)-4-[4-[2-(4-methylidenecyclohexyl)ethenyl]cyclohexyl]benzene (CID 59498969) is 1-(4-methoxybutoxy)-4-[4-[2-(4-methylidenecyclohexyl)ethenyl]cyclohexyl]benzene.
What is the SMILES notation for 1-(4-methoxybutoxy)-4-[4-[2-(4-methylidenecyclohexyl)ethenyl]cyclohexyl]benzene?
The canonical SMILES for 1-(4-methoxybutoxy)-4-[4-[2-(4-methylidenecyclohexyl)ethenyl]cyclohexyl]benzene is C=C1CCC(C=CC2CCC(c3ccc(OCCCCOC)cc3)CC2)CC1.
What is the InChIKey of 1-(4-methoxybutoxy)-4-[4-[2-(4-methylidenecyclohexyl)ethenyl]cyclohexyl]benzene?
The InChIKey is AZPZAGLJMYQJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O2/c1-21-5-7-22(8-6-21)9-10-23-11-13-24(14-12-23)25-15-17-26(18-16-25)28-20-4-3-19-27-2/h9-10,15-18,22-24H,1,3-8,11-14,19-20H2,2H3.
What are the key properties of 1-(4-methoxybutoxy)-4-[4-[2-(4-methylidenecyclohexyl)ethenyl]cyclohexyl]benzene?
1-(4-methoxybutoxy)-4-[4-[2-(4-methylidenecyclohexyl)ethenyl]cyclohexyl]benzene has a molecular weight of 382.59 g/mol, XLogP of 7.07, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutoxy)-4-[4-[2-(4-methylidenecyclohexyl)ethenyl]cyclohexyl]benzene is sourced from PubChem (CID 59498969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).