6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one

C₁₇H₂₄O₃ — CID 11346437

About 6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one

6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 11346437) has the molecular formula C₁₇H₂₄O₃ and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

• Compound Name: 6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one
• PubChem CID: 11346437
• Molecular Formula: C₁₇H₂₄O₃
• Molecular Weight: 276.38 g/mol
• Exact Mass: 276.17
• IUPAC Name: 6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one
• SMILES: COCOc1cc(C)c2c(c1C(C)C)CC(C)CC2=O
• InChI: InChI=1S/C17H24O3/c1-10(2)16-13-6-11(3)7-14(18)17(13)12(4)8-15(16)20-9-19-5/h8,10-11H,6-7,9H2,1-5H3
• InChIKey: WRJGGPBCZDLXFH-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 35.53 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	276.38
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one?

The IUPAC name of 6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one (CID 11346437) is 6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one.

What is the SMILES notation for 6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one?

The canonical SMILES for 6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one is COCOc1cc(C)c2c(c1C(C)C)CC(C)CC2=O.

What is the InChIKey of 6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one?

The InChIKey is WRJGGPBCZDLXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-10(2)16-13-6-11(3)7-14(18)17(13)12(4)8-15(16)20-9-19-5/h8,10-11H,6-7,9H2,1-5H3.

What are the key properties of 6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one?

6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 276.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(methoxymethoxy)-3,8-dimethyl-5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 11346437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11346437 — identifiers, structure, computed properties (public domain)

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