2-(3,3-diethoxypropoxy)-1,4-dimethylbenzene

C15H24O3 — CID 11779994

IUPAC2-(3,3-diethoxypropoxy)-1,4-dimethylbenzene
SMILESCCOC(CCOc1cc(C)ccc1C)OCC
InChIInChI=1S/C15H24O3/c1-5-16-15(17-6-2)9-10-18-14-11-12(3)7-8-13(14)4/h7-8,11,15H,5-6,9-10H2,1-4H3
InChIKeyUMNJBKPHBJFGBR-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.47
Rot. Bonds8

About 2-(3,3-diethoxypropoxy)-1,4-dimethylbenzene

2-(3,3-diethoxypropoxy)-1,4-dimethylbenzene (PubChem CID 11779994) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-(3,3-diethoxypropoxy)-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-(3,3-diethoxypropoxy)-1,4-dimethylbenzene
PubChem CID11779994
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name2-(3,3-diethoxypropoxy)-1,4-dimethylbenzene
SMILESCCOC(CCOc1cc(C)ccc1C)OCC
InChIInChI=1S/C15H24O3/c1-5-16-15(17-6-2)9-10-18-14-11-12(3)7-8-13(14)4/h7-8,11,15H,5-6,9-10H2,1-4H3
InChIKeyUMNJBKPHBJFGBR-UHFFFAOYSA-N
XLogP3.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.47
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

1,4-dimethyl-2-pentoxybenzene
CID 59184214
2-hexadecoxy-1,4-dimethylbenzene
CID 102286063
ethyl 4-(2,5-dimethylphenoxy)-2-(propylamino)butanoate
CID 63040489
2-(3,3-diethoxypropoxy)-1,3-dimethylbenzene
CID 63628446
ethyl (2R)-5-(2,5-dimethylphenoxy)-2-ethylpentanoate
CID 101154521
4-(2,5-dimethylphenoxy)-2-(2,5-dimethylphenyl)butanenitrile
CID 82137871
methyl 2-amino-4-(2,5-dimethylphenoxy)butanoate
CID 63040839
2-(5-chloropentoxy)-1,4-dimethylbenzene
CID 43168528
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535
4-(2,5-dimethylphenoxy)-2-phenylbutanenitrile
CID 82136950
2-ethoxy-4-(2-fluoro-5-methylphenoxy)butan-1-amine
CID 64854417
2-but-3-ynoxy-1,4-dimethylbenzene
CID 63657851

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diethoxypropoxy)-1,4-dimethylbenzene?
The IUPAC name of 2-(3,3-diethoxypropoxy)-1,4-dimethylbenzene (CID 11779994) is 2-(3,3-diethoxypropoxy)-1,4-dimethylbenzene.
What is the SMILES notation for 2-(3,3-diethoxypropoxy)-1,4-dimethylbenzene?
The canonical SMILES for 2-(3,3-diethoxypropoxy)-1,4-dimethylbenzene is CCOC(CCOc1cc(C)ccc1C)OCC.
What is the InChIKey of 2-(3,3-diethoxypropoxy)-1,4-dimethylbenzene?
The InChIKey is UMNJBKPHBJFGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-5-16-15(17-6-2)9-10-18-14-11-12(3)7-8-13(14)4/h7-8,11,15H,5-6,9-10H2,1-4H3.
What are the key properties of 2-(3,3-diethoxypropoxy)-1,4-dimethylbenzene?
2-(3,3-diethoxypropoxy)-1,4-dimethylbenzene has a molecular weight of 252.35 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-diethoxypropoxy)-1,4-dimethylbenzene is sourced from PubChem (CID 11779994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).