2-methyl-1,4,4a,8a-tetrahydronaphthalene

C11H14 — CID 21357457

IUPAC2-methyl-1,4,4a,8a-tetrahydronaphthalene
SMILESCC1=CCC2C=CC=CC2C1
InChIInChI=1S/C11H14/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-6,10-11H,7-8H2,1H3
InChIKeyIJULBIYFNFIFMU-UHFFFAOYSA-N
MW146.23 g/mol
LogP3.08
Rot. Bonds

About 2-methyl-1,4,4a,8a-tetrahydronaphthalene

2-methyl-1,4,4a,8a-tetrahydronaphthalene (PubChem CID 21357457) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-methyl-1,4,4a,8a-tetrahydronaphthalene.

Molecular Properties

Compound Name2-methyl-1,4,4a,8a-tetrahydronaphthalene
PubChem CID21357457
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name2-methyl-1,4,4a,8a-tetrahydronaphthalene
SMILESCC1=CCC2C=CC=CC2C1
InChIInChI=1S/C11H14/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-6,10-11H,7-8H2,1H3
InChIKeyIJULBIYFNFIFMU-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 53.08
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 2-methyl-1,4,4a,8a-tetrahydronaphthalene?
The IUPAC name of 2-methyl-1,4,4a,8a-tetrahydronaphthalene (CID 21357457) is 2-methyl-1,4,4a,8a-tetrahydronaphthalene.
What is the SMILES notation for 2-methyl-1,4,4a,8a-tetrahydronaphthalene?
The canonical SMILES for 2-methyl-1,4,4a,8a-tetrahydronaphthalene is CC1=CCC2C=CC=CC2C1.
What is the InChIKey of 2-methyl-1,4,4a,8a-tetrahydronaphthalene?
The InChIKey is IJULBIYFNFIFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-6,10-11H,7-8H2,1H3.
What are the key properties of 2-methyl-1,4,4a,8a-tetrahydronaphthalene?
2-methyl-1,4,4a,8a-tetrahydronaphthalene has a molecular weight of 146.23 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4,4a,8a-tetrahydronaphthalene is sourced from PubChem (CID 21357457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).