1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene

C26H26O2 — CID 22974646

IUPAC1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene
SMILESCCC(C)OCCOc1ccc(-c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C26H26O2/c1-3-19(2)27-17-18-28-26-16-15-24(23-12-6-7-13-25(23)26)22-14-8-10-20-9-4-5-11-21(20)22/h4-16,19H,3,17-18H2,1-2H3
InChIKeyOAQGDIPFTKDJAV-UHFFFAOYSA-N
MW370.49 g/mol
LogP6.85
Rot. Bonds7

About 1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene

1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene (PubChem CID 22974646) has the molecular formula C26H26O2 and a molecular weight of 370.49 g/mol. Its IUPAC name is 1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene.

Molecular Properties

Compound Name1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene
PubChem CID22974646
Molecular FormulaC26H26O2
Molecular Weight370.49 g/mol
Exact Mass370.19
IUPAC Name1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene
SMILESCCC(C)OCCOc1ccc(-c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C26H26O2/c1-3-19(2)27-17-18-28-26-16-15-24(23-12-6-7-13-25(23)26)22-14-8-10-20-9-4-5-11-21(20)22/h4-16,19H,3,17-18H2,1-2H3
InChIKeyOAQGDIPFTKDJAV-UHFFFAOYSA-N
XLogP6.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-butan-2-yloxyethoxy)perylene;methane
CID 161464662
1-[2-(1-phenylpropan-2-yloxy)ethoxy]naphthalene
CID 71242526
[2-(2-butan-2-yloxyethoxy)phenyl]methanamine
CID 60903164
1-butoxynaphthalene
CID 13262700
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-(4-methylpentoxy)naphthalene
CID 83168126
4-(2-butan-2-yloxyethoxy)-1,3-benzodioxole
CID 22974648
1,4-dibutoxynaphthalene
CID 22016411
1-[2-(2-methoxyphenyl)phenyl]naphthalene
CID 175027379
2-[4-[9-[4-(2-hydroxyethoxy)naphthalen-1-yl]-1,8-dinaphthalen-1-ylfluoren-9-yl]naphthalen-1-yl]oxyethanol
CID 142536432
1-(1-naphthalen-1-yloxypropan-2-yloxy)naphthalene
CID 67649919
2-(2-butan-2-yloxyethoxy)-1,3-bis(trifluoromethyl)benzene
CID 130369329

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene?
The IUPAC name of 1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene (CID 22974646) is 1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene.
What is the SMILES notation for 1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene?
The canonical SMILES for 1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene is CCC(C)OCCOc1ccc(-c2cccc3ccccc23)c2ccccc12.
What is the InChIKey of 1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene?
The InChIKey is OAQGDIPFTKDJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O2/c1-3-19(2)27-17-18-28-26-16-15-24(23-12-6-7-13-25(23)26)22-14-8-10-20-9-4-5-11-21(20)22/h4-16,19H,3,17-18H2,1-2H3.
What are the key properties of 1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene?
1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene has a molecular weight of 370.49 g/mol, XLogP of 6.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-yloxyethoxy)-4-naphthalen-1-ylnaphthalene is sourced from PubChem (CID 22974646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).