7,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene

C12H20 — CID 13418778

IUPAC7,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
SMILESCC1=C(C)C2CCCCC2CC1
InChIInChI=1S/C12H20/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h11-12H,3-8H2,1-2H3
InChIKeyCQLYNTDUXFLFJS-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.92
Rot. Bonds

About 7,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene

7,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene (PubChem CID 13418778) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 7,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene.

Molecular Properties

Compound Name7,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
PubChem CID13418778
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name7,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
SMILESCC1=C(C)C2CCCCC2CC1
InChIInChI=1S/C12H20/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h11-12H,3-8H2,1-2H3
InChIKeyCQLYNTDUXFLFJS-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.92
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 7,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
The IUPAC name of 7,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene (CID 13418778) is 7,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene.
What is the SMILES notation for 7,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
The canonical SMILES for 7,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene is CC1=C(C)C2CCCCC2CC1.
What is the InChIKey of 7,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
The InChIKey is CQLYNTDUXFLFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-9-7-8-11-5-3-4-6-12(11)10(9)2/h11-12H,3-8H2,1-2H3.
What are the key properties of 7,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
7,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene has a molecular weight of 164.29 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene is sourced from PubChem (CID 13418778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).