6-methoxy-1,2,3,4,5,8-hexahydronaphthalene

C11H16O — CID 10034944

IUPAC6-methoxy-1,2,3,4,5,8-hexahydronaphthalene
SMILESCOC1=CCC2=C(CCCC2)C1
InChIInChI=1S/C11H16O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h7H,2-6,8H2,1H3
InChIKeyLRZXWIUZBGTPBB-UHFFFAOYSA-N
MW164.25 g/mol
LogP3.18
Rot. Bonds1

About 6-methoxy-1,2,3,4,5,8-hexahydronaphthalene

6-methoxy-1,2,3,4,5,8-hexahydronaphthalene (PubChem CID 10034944) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 6-methoxy-1,2,3,4,5,8-hexahydronaphthalene.

Molecular Properties

Compound Name6-methoxy-1,2,3,4,5,8-hexahydronaphthalene
PubChem CID10034944
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name6-methoxy-1,2,3,4,5,8-hexahydronaphthalene
SMILESCOC1=CCC2=C(CCCC2)C1
InChIInChI=1S/C11H16O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h7H,2-6,8H2,1H3
InChIKeyLRZXWIUZBGTPBB-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 6-methoxy-1,2,3,4,5,8-hexahydronaphthalene?
The IUPAC name of 6-methoxy-1,2,3,4,5,8-hexahydronaphthalene (CID 10034944) is 6-methoxy-1,2,3,4,5,8-hexahydronaphthalene.
What is the SMILES notation for 6-methoxy-1,2,3,4,5,8-hexahydronaphthalene?
The canonical SMILES for 6-methoxy-1,2,3,4,5,8-hexahydronaphthalene is COC1=CCC2=C(CCCC2)C1.
What is the InChIKey of 6-methoxy-1,2,3,4,5,8-hexahydronaphthalene?
The InChIKey is LRZXWIUZBGTPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h7H,2-6,8H2,1H3.
What are the key properties of 6-methoxy-1,2,3,4,5,8-hexahydronaphthalene?
6-methoxy-1,2,3,4,5,8-hexahydronaphthalene has a molecular weight of 164.25 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2,3,4,5,8-hexahydronaphthalene is sourced from PubChem (CID 10034944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).