1,8-dimethylidene-2,8a-dihydronaphthalene

C12H12 — CID 54128881

IUPAC1,8-dimethylidene-2,8a-dihydronaphthalene
SMILESC=C1C=CC=C2C=CCC(=C)C12
InChIInChI=1S/C12H12/c1-9-5-3-7-11-8-4-6-10(2)12(9)11/h3-5,7-8,12H,1-2,6H2
InChIKeyNSXAXQIBEACORE-UHFFFAOYSA-N
MW156.23 g/mol
LogP3.17
Rot. Bonds

About 1,8-dimethylidene-2,8a-dihydronaphthalene

1,8-dimethylidene-2,8a-dihydronaphthalene (PubChem CID 54128881) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is 1,8-dimethylidene-2,8a-dihydronaphthalene.

Molecular Properties

Compound Name1,8-dimethylidene-2,8a-dihydronaphthalene
PubChem CID54128881
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Name1,8-dimethylidene-2,8a-dihydronaphthalene
SMILESC=C1C=CC=C2C=CCC(=C)C12
InChIInChI=1S/C12H12/c1-9-5-3-7-11-8-4-6-10(2)12(9)11/h3-5,7-8,12H,1-2,6H2
InChIKeyNSXAXQIBEACORE-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 53.17
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 1,8-dimethylidene-2,8a-dihydronaphthalene?
The IUPAC name of 1,8-dimethylidene-2,8a-dihydronaphthalene (CID 54128881) is 1,8-dimethylidene-2,8a-dihydronaphthalene.
What is the SMILES notation for 1,8-dimethylidene-2,8a-dihydronaphthalene?
The canonical SMILES for 1,8-dimethylidene-2,8a-dihydronaphthalene is C=C1C=CC=C2C=CCC(=C)C12.
What is the InChIKey of 1,8-dimethylidene-2,8a-dihydronaphthalene?
The InChIKey is NSXAXQIBEACORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12/c1-9-5-3-7-11-8-4-6-10(2)12(9)11/h3-5,7-8,12H,1-2,6H2.
What are the key properties of 1,8-dimethylidene-2,8a-dihydronaphthalene?
1,8-dimethylidene-2,8a-dihydronaphthalene has a molecular weight of 156.23 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethylidene-2,8a-dihydronaphthalene is sourced from PubChem (CID 54128881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).