2-benzylidene-8a-methyl-3,4,7,8-tetrahydronaphthalene-1,6-dione

C18H18O2 — CID 56636210

IUPAC2-benzylidene-8a-methyl-3,4,7,8-tetrahydronaphthalene-1,6-dione
SMILESCC12CCC(=O)C=C1CCC(=Cc1ccccc1)C2=O
InChIInChI=1S/C18H18O2/c1-18-10-9-16(19)12-15(18)8-7-14(17(18)20)11-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyFKUAYSBLDCGVLH-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.73
Rot. Bonds1

About 2-benzylidene-8a-methyl-3,4,7,8-tetrahydronaphthalene-1,6-dione

2-benzylidene-8a-methyl-3,4,7,8-tetrahydronaphthalene-1,6-dione (PubChem CID 56636210) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-benzylidene-8a-methyl-3,4,7,8-tetrahydronaphthalene-1,6-dione.

Molecular Properties

Compound Name2-benzylidene-8a-methyl-3,4,7,8-tetrahydronaphthalene-1,6-dione
PubChem CID56636210
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-benzylidene-8a-methyl-3,4,7,8-tetrahydronaphthalene-1,6-dione
SMILESCC12CCC(=O)C=C1CCC(=Cc1ccccc1)C2=O
InChIInChI=1S/C18H18O2/c1-18-10-9-16(19)12-15(18)8-7-14(17(18)20)11-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyFKUAYSBLDCGVLH-UHFFFAOYSA-N
XLogP3.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzylidene-8a-methyl-3,4,7,8-tetrahydronaphthalene-1,6-dione?
The IUPAC name of 2-benzylidene-8a-methyl-3,4,7,8-tetrahydronaphthalene-1,6-dione (CID 56636210) is 2-benzylidene-8a-methyl-3,4,7,8-tetrahydronaphthalene-1,6-dione.
What is the SMILES notation for 2-benzylidene-8a-methyl-3,4,7,8-tetrahydronaphthalene-1,6-dione?
The canonical SMILES for 2-benzylidene-8a-methyl-3,4,7,8-tetrahydronaphthalene-1,6-dione is CC12CCC(=O)C=C1CCC(=Cc1ccccc1)C2=O.
What is the InChIKey of 2-benzylidene-8a-methyl-3,4,7,8-tetrahydronaphthalene-1,6-dione?
The InChIKey is FKUAYSBLDCGVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-18-10-9-16(19)12-15(18)8-7-14(17(18)20)11-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 2-benzylidene-8a-methyl-3,4,7,8-tetrahydronaphthalene-1,6-dione?
2-benzylidene-8a-methyl-3,4,7,8-tetrahydronaphthalene-1,6-dione has a molecular weight of 266.34 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylidene-8a-methyl-3,4,7,8-tetrahydronaphthalene-1,6-dione is sourced from PubChem (CID 56636210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).