1,4,4a,5,8,8a-hexahydronaphthalene

C10H14 — CID 556748

IUPAC1,4,4a,5,8,8a-hexahydronaphthalene
SMILESC1=CCC2CC=CCC2C1
InChIInChI=1S/C10H14/c1-2-6-10-8-4-3-7-9(10)5-1/h1-4,9-10H,5-8H2
InChIKeyPGHZAUNNTGXQDF-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.92
Rot. Bonds

About 1,4,4a,5,8,8a-hexahydronaphthalene

1,4,4a,5,8,8a-hexahydronaphthalene (PubChem CID 556748) has the molecular formula C10H14 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1,4,4a,5,8,8a-hexahydronaphthalene.

Molecular Properties

Compound Name1,4,4a,5,8,8a-hexahydronaphthalene
PubChem CID556748
Molecular FormulaC10H14
Molecular Weight134.22 g/mol
Exact Mass134.11
IUPAC Name1,4,4a,5,8,8a-hexahydronaphthalene
SMILESC1=CCC2CC=CCC2C1
InChIInChI=1S/C10H14/c1-2-6-10-8-4-3-7-9(10)5-1/h1-4,9-10H,5-8H2
InChIKeyPGHZAUNNTGXQDF-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.92
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 1,4,4a,5,8,8a-hexahydronaphthalene?
The IUPAC name of 1,4,4a,5,8,8a-hexahydronaphthalene (CID 556748) is 1,4,4a,5,8,8a-hexahydronaphthalene.
What is the SMILES notation for 1,4,4a,5,8,8a-hexahydronaphthalene?
The canonical SMILES for 1,4,4a,5,8,8a-hexahydronaphthalene is C1=CCC2CC=CCC2C1.
What is the InChIKey of 1,4,4a,5,8,8a-hexahydronaphthalene?
The InChIKey is PGHZAUNNTGXQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14/c1-2-6-10-8-4-3-7-9(10)5-1/h1-4,9-10H,5-8H2.
What are the key properties of 1,4,4a,5,8,8a-hexahydronaphthalene?
1,4,4a,5,8,8a-hexahydronaphthalene has a molecular weight of 134.22 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4a,5,8,8a-hexahydronaphthalene is sourced from PubChem (CID 556748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).