5,8-dimethylidene-1,4,4a,8a-tetrahydronaphthalene

C12H14 — CID 175168315

IUPAC5,8-dimethylidene-1,4,4a,8a-tetrahydronaphthalene
SMILESC=C1C=CC(=C)C2CC=CCC12
InChIInChI=1S/C12H14/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-4,7-8,11-12H,1-2,5-6H2
InChIKeyCCPAOMMFRIZKAL-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.25
Rot. Bonds

About 5,8-dimethylidene-1,4,4a,8a-tetrahydronaphthalene

5,8-dimethylidene-1,4,4a,8a-tetrahydronaphthalene (PubChem CID 175168315) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 5,8-dimethylidene-1,4,4a,8a-tetrahydronaphthalene.

Molecular Properties

Compound Name5,8-dimethylidene-1,4,4a,8a-tetrahydronaphthalene
PubChem CID175168315
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name5,8-dimethylidene-1,4,4a,8a-tetrahydronaphthalene
SMILESC=C1C=CC(=C)C2CC=CCC12
InChIInChI=1S/C12H14/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-4,7-8,11-12H,1-2,5-6H2
InChIKeyCCPAOMMFRIZKAL-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 53.25
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 5,8-dimethylidene-1,4,4a,8a-tetrahydronaphthalene?
The IUPAC name of 5,8-dimethylidene-1,4,4a,8a-tetrahydronaphthalene (CID 175168315) is 5,8-dimethylidene-1,4,4a,8a-tetrahydronaphthalene.
What is the SMILES notation for 5,8-dimethylidene-1,4,4a,8a-tetrahydronaphthalene?
The canonical SMILES for 5,8-dimethylidene-1,4,4a,8a-tetrahydronaphthalene is C=C1C=CC(=C)C2CC=CCC12.
What is the InChIKey of 5,8-dimethylidene-1,4,4a,8a-tetrahydronaphthalene?
The InChIKey is CCPAOMMFRIZKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-4,7-8,11-12H,1-2,5-6H2.
What are the key properties of 5,8-dimethylidene-1,4,4a,8a-tetrahydronaphthalene?
5,8-dimethylidene-1,4,4a,8a-tetrahydronaphthalene has a molecular weight of 158.24 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethylidene-1,4,4a,8a-tetrahydronaphthalene is sourced from PubChem (CID 175168315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).