7-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene

C30H33F3O — CID 144962362

About 7-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene

7-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 144962362) has the molecular formula C30H33F3O and a molecular weight of 466.59 g/mol. Its IUPAC name is 7-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: 7-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene
• PubChem CID: 144962362
• Molecular Formula: C30H33F3O
• Molecular Weight: 466.59 g/mol
• Exact Mass: 466.25
• IUPAC Name: 7-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene
• SMILES: C=C(/C=C1/CC(C)C/C1=C/C)OCc1ccc2c(c1)C(c1ccccc1C(F)(F)F)C(C)CC2
• InChI: InChI=1S/C30H33F3O/c1-5-23-14-19(2)15-25(23)16-21(4)34-18-22-11-13-24-12-10-20(3)29(27(24)17-22)26-8-6-7-9-28(26)30(31,32)33/h5-9,11,13,16-17,19-20,29H,4,10,12,14-15,18H2,1-3H3/b23-5-,25-16-
• InChIKey: NQGOABGRSDPAIR-IIOPUGJQSA-N
• XLogP: 8.75
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.59
LogP ≤ 5	8.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene?

The IUPAC name of 7-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene (CID 144962362) is 7-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene.

What is the SMILES notation for 7-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene?

The canonical SMILES for 7-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene is C=C(/C=C1/CC(C)C/C1=C/C)OCc1ccc2c(c1)C(c1ccccc1C(F)(F)F)C(C)CC2.

What is the InChIKey of 7-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene?

The InChIKey is NQGOABGRSDPAIR-IIOPUGJQSA-N. The full InChI is InChI=1S/C30H33F3O/c1-5-23-14-19(2)15-25(23)16-21(4)34-18-22-11-13-24-12-10-20(3)29(27(24)17-22)26-8-6-7-9-28(26)30(31,32)33/h5-9,11,13,16-17,19-20,29H,4,10,12,14-15,18H2,1-3H3/b23-5-,25-16-.

What are the key properties of 7-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene?

7-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 466.59 g/mol, XLogP of 8.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[(3Z)-3-[(2Z)-2-ethylidene-4-methylcyclopentylidene]prop-1-en-2-yl]oxymethyl]-2-methyl-1-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 144962362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).