4-[1-(4-butan-2-ylphenoxy)ethoxy]oxane

C17H26O3 — CID 118423859

IUPAC4-[1-(4-butan-2-ylphenoxy)ethoxy]oxane
SMILESCCC(C)c1ccc(OC(C)OC2CCOCC2)cc1
InChIInChI=1S/C17H26O3/c1-4-13(2)15-5-7-16(8-6-15)19-14(3)20-17-9-11-18-12-10-17/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyWHEKXVVTRMFETG-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.12
Rot. Bonds6

About 4-[1-(4-butan-2-ylphenoxy)ethoxy]oxane

4-[1-(4-butan-2-ylphenoxy)ethoxy]oxane (PubChem CID 118423859) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 4-[1-(4-butan-2-ylphenoxy)ethoxy]oxane.

Molecular Properties

Compound Name4-[1-(4-butan-2-ylphenoxy)ethoxy]oxane
PubChem CID118423859
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name4-[1-(4-butan-2-ylphenoxy)ethoxy]oxane
SMILESCCC(C)c1ccc(OC(C)OC2CCOCC2)cc1
InChIInChI=1S/C17H26O3/c1-4-13(2)15-5-7-16(8-6-15)19-14(3)20-17-9-11-18-12-10-17/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyWHEKXVVTRMFETG-UHFFFAOYSA-N
XLogP4.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)oxyethoxy]benzene
CID 58939680
1-butan-2-yl-4-[1-[7-[1-(4-butan-2-ylphenoxy)ethoxy]heptoxy]ethoxy]benzene
CID 59687778
1-butan-2-yl-4-[1-(2-pentadecoxyethoxy)ethoxy]benzene
CID 58037077
1-[(2R)-butan-2-yl]-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 89233855
1-butan-2-yl-4-(1-butoxyethoxy)benzene
CID 18739256
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
4-[4-butan-2-yl-2-(trifluoromethyl)phenoxy]oxane
CID 90927060
2-(4-butan-2-ylphenoxy)-1-(oxolan-3-yl)ethanamine
CID 107664229
1-butan-2-yl-4-[1-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 90919923
1-butan-2-yl-4-(3,3-dimethylbutan-2-yloxy)benzene
CID 159159765
1-[1-(4-butan-2-ylphenoxy)ethoxymethyl]-2,4-dimethylbenzene
CID 21363352
1-butan-2-yl-4-(cyclopropylmethoxymethoxy)benzene
CID 107669089

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-butan-2-ylphenoxy)ethoxy]oxane?
The IUPAC name of 4-[1-(4-butan-2-ylphenoxy)ethoxy]oxane (CID 118423859) is 4-[1-(4-butan-2-ylphenoxy)ethoxy]oxane.
What is the SMILES notation for 4-[1-(4-butan-2-ylphenoxy)ethoxy]oxane?
The canonical SMILES for 4-[1-(4-butan-2-ylphenoxy)ethoxy]oxane is CCC(C)c1ccc(OC(C)OC2CCOCC2)cc1.
What is the InChIKey of 4-[1-(4-butan-2-ylphenoxy)ethoxy]oxane?
The InChIKey is WHEKXVVTRMFETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-4-13(2)15-5-7-16(8-6-15)19-14(3)20-17-9-11-18-12-10-17/h5-8,13-14,17H,4,9-12H2,1-3H3.
What are the key properties of 4-[1-(4-butan-2-ylphenoxy)ethoxy]oxane?
4-[1-(4-butan-2-ylphenoxy)ethoxy]oxane has a molecular weight of 278.39 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-butan-2-ylphenoxy)ethoxy]oxane is sourced from PubChem (CID 118423859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).