2-methyl-1,4-dimethylidene-2,3-dihydronaphthalene

C13H14 — CID 23204323

IUPAC2-methyl-1,4-dimethylidene-2,3-dihydronaphthalene
SMILESC=C1CC(C)C(=C)c2ccccc21
InChIInChI=1S/C13H14/c1-9-8-10(2)12-6-4-5-7-13(12)11(9)3/h4-7,9H,2-3,8H2,1H3
InChIKeyQPGPBMKPQOIWSV-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.75
Rot. Bonds

About 2-methyl-1,4-dimethylidene-2,3-dihydronaphthalene

2-methyl-1,4-dimethylidene-2,3-dihydronaphthalene (PubChem CID 23204323) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methyl-1,4-dimethylidene-2,3-dihydronaphthalene.

Molecular Properties

Compound Name2-methyl-1,4-dimethylidene-2,3-dihydronaphthalene
PubChem CID23204323
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name2-methyl-1,4-dimethylidene-2,3-dihydronaphthalene
SMILESC=C1CC(C)C(=C)c2ccccc21
InChIInChI=1S/C13H14/c1-9-8-10(2)12-6-4-5-7-13(12)11(9)3/h4-7,9H,2-3,8H2,1H3
InChIKeyQPGPBMKPQOIWSV-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-dimethylidene-2,3-dihydronaphthalene?
The IUPAC name of 2-methyl-1,4-dimethylidene-2,3-dihydronaphthalene (CID 23204323) is 2-methyl-1,4-dimethylidene-2,3-dihydronaphthalene.
What is the SMILES notation for 2-methyl-1,4-dimethylidene-2,3-dihydronaphthalene?
The canonical SMILES for 2-methyl-1,4-dimethylidene-2,3-dihydronaphthalene is C=C1CC(C)C(=C)c2ccccc21.
What is the InChIKey of 2-methyl-1,4-dimethylidene-2,3-dihydronaphthalene?
The InChIKey is QPGPBMKPQOIWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-9-8-10(2)12-6-4-5-7-13(12)11(9)3/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 2-methyl-1,4-dimethylidene-2,3-dihydronaphthalene?
2-methyl-1,4-dimethylidene-2,3-dihydronaphthalene has a molecular weight of 170.25 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-dimethylidene-2,3-dihydronaphthalene is sourced from PubChem (CID 23204323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).