2-(2,4,6-trimethylidenecyclohexylidene)-1,3-dihydroindene

C18H18 — CID 163412010

IUPAC2-(2,4,6-trimethylidenecyclohexylidene)-1,3-dihydroindene
SMILESC=C1CC(=C)C(=C2Cc3ccccc3C2)C(=C)C1
InChIInChI=1S/C18H18/c1-12-8-13(2)18(14(3)9-12)17-10-15-6-4-5-7-16(15)11-17/h4-7H,1-3,8-11H2
InChIKeyZDGYDCZXBMWGMY-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.54
Rot. Bonds

About 2-(2,4,6-trimethylidenecyclohexylidene)-1,3-dihydroindene

2-(2,4,6-trimethylidenecyclohexylidene)-1,3-dihydroindene (PubChem CID 163412010) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(2,4,6-trimethylidenecyclohexylidene)-1,3-dihydroindene.

Molecular Properties

Compound Name2-(2,4,6-trimethylidenecyclohexylidene)-1,3-dihydroindene
PubChem CID163412010
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name2-(2,4,6-trimethylidenecyclohexylidene)-1,3-dihydroindene
SMILESC=C1CC(=C)C(=C2Cc3ccccc3C2)C(=C)C1
InChIInChI=1S/C18H18/c1-12-8-13(2)18(14(3)9-12)17-10-15-6-4-5-7-16(15)11-17/h4-7H,1-3,8-11H2
InChIKeyZDGYDCZXBMWGMY-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylidenecyclohexylidene)-1,3-dihydroindene?
The IUPAC name of 2-(2,4,6-trimethylidenecyclohexylidene)-1,3-dihydroindene (CID 163412010) is 2-(2,4,6-trimethylidenecyclohexylidene)-1,3-dihydroindene.
What is the SMILES notation for 2-(2,4,6-trimethylidenecyclohexylidene)-1,3-dihydroindene?
The canonical SMILES for 2-(2,4,6-trimethylidenecyclohexylidene)-1,3-dihydroindene is C=C1CC(=C)C(=C2Cc3ccccc3C2)C(=C)C1.
What is the InChIKey of 2-(2,4,6-trimethylidenecyclohexylidene)-1,3-dihydroindene?
The InChIKey is ZDGYDCZXBMWGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-12-8-13(2)18(14(3)9-12)17-10-15-6-4-5-7-16(15)11-17/h4-7H,1-3,8-11H2.
What are the key properties of 2-(2,4,6-trimethylidenecyclohexylidene)-1,3-dihydroindene?
2-(2,4,6-trimethylidenecyclohexylidene)-1,3-dihydroindene has a molecular weight of 234.34 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylidenecyclohexylidene)-1,3-dihydroindene is sourced from PubChem (CID 163412010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).