5,8-dimethyl-1,4-dihydronaphthalene

C12H14 — CID 15646930

IUPAC5,8-dimethyl-1,4-dihydronaphthalene
SMILESCc1ccc(C)c2c1CC=CC2
InChIInChI=1S/C12H14/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-4,7-8H,5-6H2,1-2H3
InChIKeyPIYZZYZHTNRIRM-UHFFFAOYSA-N
MW158.24 g/mol
LogP2.96
Rot. Bonds

About 5,8-dimethyl-1,4-dihydronaphthalene

5,8-dimethyl-1,4-dihydronaphthalene (PubChem CID 15646930) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 5,8-dimethyl-1,4-dihydronaphthalene.

Molecular Properties

Compound Name5,8-dimethyl-1,4-dihydronaphthalene
PubChem CID15646930
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name5,8-dimethyl-1,4-dihydronaphthalene
SMILESCc1ccc(C)c2c1CC=CC2
InChIInChI=1S/C12H14/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-4,7-8H,5-6H2,1-2H3
InChIKeyPIYZZYZHTNRIRM-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
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-dimethyl-1,4-dihydronaphthalene?
The IUPAC name of 5,8-dimethyl-1,4-dihydronaphthalene (CID 15646930) is 5,8-dimethyl-1,4-dihydronaphthalene.
What is the SMILES notation for 5,8-dimethyl-1,4-dihydronaphthalene?
The canonical SMILES for 5,8-dimethyl-1,4-dihydronaphthalene is Cc1ccc(C)c2c1CC=CC2.
What is the InChIKey of 5,8-dimethyl-1,4-dihydronaphthalene?
The InChIKey is PIYZZYZHTNRIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 5,8-dimethyl-1,4-dihydronaphthalene?
5,8-dimethyl-1,4-dihydronaphthalene has a molecular weight of 158.24 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-1,4-dihydronaphthalene is sourced from PubChem (CID 15646930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).