1,2,4a,8a-tetrahydronaphthalene

C10H12 — CID 13056319

IUPAC1,2,4a,8a-tetrahydronaphthalene
SMILESC1=CC2C=CCCC2C=C1
InChIInChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-3,5-7,9-10H,4,8H2
InChIKeySRVJYGUCRZLZIT-UHFFFAOYSA-N
MW132.21 g/mol
LogP2.69
Rot. Bonds

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

1,2,4a,8a-tetrahydronaphthalene (PubChem CID 13056319) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is 1,2,4a,8a-tetrahydronaphthalene.

Molecular Properties

Compound Name1,2,4a,8a-tetrahydronaphthalene
PubChem CID13056319
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name1,2,4a,8a-tetrahydronaphthalene
SMILESC1=CC2C=CCCC2C=C1
InChIInChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-3,5-7,9-10H,4,8H2
InChIKeySRVJYGUCRZLZIT-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 52.69
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 1,2,4a,8a-tetrahydronaphthalene?
The IUPAC name of 1,2,4a,8a-tetrahydronaphthalene (CID 13056319) is 1,2,4a,8a-tetrahydronaphthalene.
What is the SMILES notation for 1,2,4a,8a-tetrahydronaphthalene?
The canonical SMILES for 1,2,4a,8a-tetrahydronaphthalene is C1=CC2C=CCCC2C=C1.
What is the InChIKey of 1,2,4a,8a-tetrahydronaphthalene?
The InChIKey is SRVJYGUCRZLZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-3,5-7,9-10H,4,8H2.
What are the key properties of 1,2,4a,8a-tetrahydronaphthalene?
1,2,4a,8a-tetrahydronaphthalene has a molecular weight of 132.21 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4a,8a-tetrahydronaphthalene is sourced from PubChem (CID 13056319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).