1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,5,8-trimethylnaphthalene

C20H28O4 — CID 126699729

IUPAC1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,5,8-trimethylnaphthalene
SMILESCOCCOCCOCCOc1cc(C)cc2c(C)ccc(C)c12
InChIInChI=1S/C20H28O4/c1-15-13-18-16(2)5-6-17(3)20(18)19(14-15)24-12-11-23-10-9-22-8-7-21-4/h5-6,13-14H,7-12H2,1-4H3
InChIKeyVEADKBXRAXOIQJ-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.82
Rot. Bonds10

About 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,5,8-trimethylnaphthalene

1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,5,8-trimethylnaphthalene (PubChem CID 126699729) has the molecular formula C20H28O4 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,5,8-trimethylnaphthalene.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,5,8-trimethylnaphthalene
PubChem CID126699729
Molecular FormulaC20H28O4
Molecular Weight332.44 g/mol
Exact Mass332.20
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,5,8-trimethylnaphthalene
SMILESCOCCOCCOCCOc1cc(C)cc2c(C)ccc(C)c12
InChIInChI=1S/C20H28O4/c1-15-13-18-16(2)5-6-17(3)20(18)19(14-15)24-12-11-23-10-9-22-8-7-21-4/h5-6,13-14H,7-12H2,1-4H3
InChIKeyVEADKBXRAXOIQJ-UHFFFAOYSA-N
XLogP3.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,5,8-trimethylnaphthalene?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,5,8-trimethylnaphthalene (CID 126699729) is 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,5,8-trimethylnaphthalene.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,5,8-trimethylnaphthalene?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,5,8-trimethylnaphthalene is COCCOCCOCCOc1cc(C)cc2c(C)ccc(C)c12.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,5,8-trimethylnaphthalene?
The InChIKey is VEADKBXRAXOIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O4/c1-15-13-18-16(2)5-6-17(3)20(18)19(14-15)24-12-11-23-10-9-22-8-7-21-4/h5-6,13-14H,7-12H2,1-4H3.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,5,8-trimethylnaphthalene?
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,5,8-trimethylnaphthalene has a molecular weight of 332.44 g/mol, XLogP of 3.82, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,5,8-trimethylnaphthalene is sourced from PubChem (CID 126699729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).