5-(6-methoxyhexyl)-1,2,3,4-tetrahydronaphthalene

C17H26O — CID 67275379

IUPAC5-(6-methoxyhexyl)-1,2,3,4-tetrahydronaphthalene
SMILESCOCCCCCCc1cccc2c1CCCC2
InChIInChI=1S/C17H26O/c1-18-14-7-3-2-4-9-15-11-8-12-16-10-5-6-13-17(15)16/h8,11-12H,2-7,9-10,13-14H2,1H3
InChIKeyJAUIPEBJYMFLHD-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.31
Rot. Bonds7

About 5-(6-methoxyhexyl)-1,2,3,4-tetrahydronaphthalene

5-(6-methoxyhexyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 67275379) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is 5-(6-methoxyhexyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name5-(6-methoxyhexyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID67275379
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name5-(6-methoxyhexyl)-1,2,3,4-tetrahydronaphthalene
SMILESCOCCCCCCc1cccc2c1CCCC2
InChIInChI=1S/C17H26O/c1-18-14-7-3-2-4-9-15-11-8-12-16-10-5-6-13-17(15)16/h8,11-12H,2-7,9-10,13-14H2,1H3
InChIKeyJAUIPEBJYMFLHD-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(6-methoxyhexyl)-1,2,3,4-tetrahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxyhexyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 5-(6-methoxyhexyl)-1,2,3,4-tetrahydronaphthalene (CID 67275379) is 5-(6-methoxyhexyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 5-(6-methoxyhexyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 5-(6-methoxyhexyl)-1,2,3,4-tetrahydronaphthalene is COCCCCCCc1cccc2c1CCCC2.
What is the InChIKey of 5-(6-methoxyhexyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is JAUIPEBJYMFLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-18-14-7-3-2-4-9-15-11-8-12-16-10-5-6-13-17(15)16/h8,11-12H,2-7,9-10,13-14H2,1H3.
What are the key properties of 5-(6-methoxyhexyl)-1,2,3,4-tetrahydronaphthalene?
5-(6-methoxyhexyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 246.39 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxyhexyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 67275379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).