1,5-dimethyl-1,4-dihydronaphthalene

C12H14 — CID 147111111

IUPAC1,5-dimethyl-1,4-dihydronaphthalene
SMILESCc1cccc2c1CC=CC2C
InChIInChI=1S/C12H14/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3-7,9H,8H2,1-2H3
InChIKeyXXECLKKJTZHNNN-UHFFFAOYSA-N
MW158.24 g/mol
LogP3.21
Rot. Bonds

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

1,5-dimethyl-1,4-dihydronaphthalene (PubChem CID 147111111) has the molecular formula C12H14 and a molecular weight of 158.24 g/mol. Its IUPAC name is 1,5-dimethyl-1,4-dihydronaphthalene.

Molecular Properties

Compound Name1,5-dimethyl-1,4-dihydronaphthalene
PubChem CID147111111
Molecular FormulaC12H14
Molecular Weight158.24 g/mol
Exact Mass158.11
IUPAC Name1,5-dimethyl-1,4-dihydronaphthalene
SMILESCc1cccc2c1CC=CC2C
InChIInChI=1S/C12H14/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3-7,9H,8H2,1-2H3
InChIKeyXXECLKKJTZHNNN-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
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 1,5-dimethyl-1,4-dihydronaphthalene?
The IUPAC name of 1,5-dimethyl-1,4-dihydronaphthalene (CID 147111111) is 1,5-dimethyl-1,4-dihydronaphthalene.
What is the SMILES notation for 1,5-dimethyl-1,4-dihydronaphthalene?
The canonical SMILES for 1,5-dimethyl-1,4-dihydronaphthalene is Cc1cccc2c1CC=CC2C.
What is the InChIKey of 1,5-dimethyl-1,4-dihydronaphthalene?
The InChIKey is XXECLKKJTZHNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14/c1-9-5-3-8-12-10(2)6-4-7-11(9)12/h3-7,9H,8H2,1-2H3.
What are the key properties of 1,5-dimethyl-1,4-dihydronaphthalene?
1,5-dimethyl-1,4-dihydronaphthalene has a molecular weight of 158.24 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-1,4-dihydronaphthalene is sourced from PubChem (CID 147111111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).