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

C15H24O3 — CID 63628446

IUPAC2-(3,3-diethoxypropoxy)-1,3-dimethylbenzene
SMILESCCOC(CCOc1c(C)cccc1C)OCC
InChIInChI=1S/C15H24O3/c1-5-16-14(17-6-2)10-11-18-15-12(3)8-7-9-13(15)4/h7-9,14H,5-6,10-11H2,1-4H3
InChIKeyYZVFBADEYQVUCI-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.47
Rot. Bonds8

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

2-(3,3-diethoxypropoxy)-1,3-dimethylbenzene (PubChem CID 63628446) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-(3,3-diethoxypropoxy)-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-(3,3-diethoxypropoxy)-1,3-dimethylbenzene
PubChem CID63628446
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name2-(3,3-diethoxypropoxy)-1,3-dimethylbenzene
SMILESCCOC(CCOc1c(C)cccc1C)OCC
InChIInChI=1S/C15H24O3/c1-5-16-14(17-6-2)10-11-18-15-12(3)8-7-9-13(15)4/h7-9,14H,5-6,10-11H2,1-4H3
InChIKeyYZVFBADEYQVUCI-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'}

Analyze 2-(3,3-diethoxypropoxy)-1,3-dimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2-diethoxyethoxy)-1,3-dimethylbenzene
CID 13416780
1,3-dimethyl-2-propoxybenzene
CID 579040
ethane;2-ethoxy-1,3-dimethylbenzene
CID 91163284
2-(3,3-diethoxypropoxy)-1,4-dimethylbenzene
CID 11779994
6-(2,6-dimethylphenoxy)hexan-3-ol
CID 106802636
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792
2-decoxy-1,3-dimethylbenzene
CID 83057478
3-(2,6-dimethylphenoxy)-1-phenylpropan-1-ol
CID 116693276
1,3-dimethyl-2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]benzene
CID 78849421
2-ethoxy-1,3-dimethylbenzene;trichloroalumane
CID 175224495
[2-(3,3-diethoxypropoxy)phenyl]methanol
CID 63654292
2-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanoic acid
CID 112508828

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-diethoxypropoxy)-1,3-dimethylbenzene?
The IUPAC name of 2-(3,3-diethoxypropoxy)-1,3-dimethylbenzene (CID 63628446) is 2-(3,3-diethoxypropoxy)-1,3-dimethylbenzene.
What is the SMILES notation for 2-(3,3-diethoxypropoxy)-1,3-dimethylbenzene?
The canonical SMILES for 2-(3,3-diethoxypropoxy)-1,3-dimethylbenzene is CCOC(CCOc1c(C)cccc1C)OCC.
What is the InChIKey of 2-(3,3-diethoxypropoxy)-1,3-dimethylbenzene?
The InChIKey is YZVFBADEYQVUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-5-16-14(17-6-2)10-11-18-15-12(3)8-7-9-13(15)4/h7-9,14H,5-6,10-11H2,1-4H3.
What are the key properties of 2-(3,3-diethoxypropoxy)-1,3-dimethylbenzene?
2-(3,3-diethoxypropoxy)-1,3-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)-1,3-dimethylbenzene is sourced from PubChem (CID 63628446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).