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

C12H19I — CID 89175619

IUPAC1-iodo-6,7-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene
SMILESCC1CC2=C(CC1C)C(I)CCC2
InChIInChI=1S/C12H19I/c1-8-6-10-4-3-5-12(13)11(10)7-9(8)2/h8-9,12H,3-7H2,1-2H3
InChIKeyIDOXFYOGVOYXBA-UHFFFAOYSA-N
MW290.19 g/mol
LogP4.34
Rot. Bonds

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

1-iodo-6,7-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene (PubChem CID 89175619) has the molecular formula C12H19I and a molecular weight of 290.19 g/mol. Its IUPAC name is 1-iodo-6,7-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene.

Molecular Properties

Compound Name1-iodo-6,7-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene
PubChem CID89175619
Molecular FormulaC12H19I
Molecular Weight290.19 g/mol
Exact Mass290.05
IUPAC Name1-iodo-6,7-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene
SMILESCC1CC2=C(CC1C)C(I)CCC2
InChIInChI=1S/C12H19I/c1-8-6-10-4-3-5-12(13)11(10)7-9(8)2/h8-9,12H,3-7H2,1-2H3
InChIKeyIDOXFYOGVOYXBA-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-6,7-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene?
The IUPAC name of 1-iodo-6,7-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene (CID 89175619) is 1-iodo-6,7-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene.
What is the SMILES notation for 1-iodo-6,7-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene?
The canonical SMILES for 1-iodo-6,7-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene is CC1CC2=C(CC1C)C(I)CCC2.
What is the InChIKey of 1-iodo-6,7-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene?
The InChIKey is IDOXFYOGVOYXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19I/c1-8-6-10-4-3-5-12(13)11(10)7-9(8)2/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 1-iodo-6,7-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene?
1-iodo-6,7-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene has a molecular weight of 290.19 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-6,7-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene is sourced from PubChem (CID 89175619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).