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

C11H18 — CID 12753766

IUPAC8-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
SMILESCC1=C2CCCCC2CCC1
InChIInChI=1S/C11H18/c1-9-5-4-7-10-6-2-3-8-11(9)10/h10H,2-8H2,1H3
InChIKeyLHWQLWNWNYLHQE-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.68
Rot. Bonds

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

8-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene (PubChem CID 12753766) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 8-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene.

Molecular Properties

Compound Name8-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
PubChem CID12753766
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name8-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
SMILESCC1=C2CCCCC2CCC1
InChIInChI=1S/C11H18/c1-9-5-4-7-10-6-2-3-8-11(9)10/h10H,2-8H2,1H3
InChIKeyLHWQLWNWNYLHQE-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.68
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 8-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene?
The IUPAC name of 8-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene (CID 12753766) is 8-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene.
What is the SMILES notation for 8-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene?
The canonical SMILES for 8-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene is CC1=C2CCCCC2CCC1.
What is the InChIKey of 8-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene?
The InChIKey is LHWQLWNWNYLHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-9-5-4-7-10-6-2-3-8-11(9)10/h10H,2-8H2,1H3.
What are the key properties of 8-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene?
8-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene has a molecular weight of 150.26 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene is sourced from PubChem (CID 12753766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).