1-(2,2-dimethylpropoxy)-3-ethoxy-5-methylbenzene

C14H22O2 — CID 170603030

IUPAC1-(2,2-dimethylpropoxy)-3-ethoxy-5-methylbenzene
SMILESCCOc1cc(C)cc(OCC(C)(C)C)c1
InChIInChI=1S/C14H22O2/c1-6-15-12-7-11(2)8-13(9-12)16-10-14(3,4)5/h7-9H,6,10H2,1-5H3
InChIKeyOWBJWEHZBNEDLR-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.82
Rot. Bonds4

About 1-(2,2-dimethylpropoxy)-3-ethoxy-5-methylbenzene

1-(2,2-dimethylpropoxy)-3-ethoxy-5-methylbenzene (PubChem CID 170603030) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(2,2-dimethylpropoxy)-3-ethoxy-5-methylbenzene.

Molecular Properties

Compound Name1-(2,2-dimethylpropoxy)-3-ethoxy-5-methylbenzene
PubChem CID170603030
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name1-(2,2-dimethylpropoxy)-3-ethoxy-5-methylbenzene
SMILESCCOc1cc(C)cc(OCC(C)(C)C)c1
InChIInChI=1S/C14H22O2/c1-6-15-12-7-11(2)8-13(9-12)16-10-14(3,4)5/h7-9H,6,10H2,1-5H3
InChIKeyOWBJWEHZBNEDLR-UHFFFAOYSA-N
XLogP3.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropoxy)-3-ethoxy-5-fluorobenzene;ethane;propane
CID 170603144
1-(2,2-dimethylpropoxy)-4-ethoxybenzene
CID 170603637
3-ethoxy-5-methylaniline
CID 67863452
1-(2,2-dimethylpropoxy)-3-ethoxy-5-methylbenzene;ethane;propane;1,2,4,5-tetrafluoro-3-(4-methylpentyl)-6-(propoxymethyl)benzene
CID 170603029
2-[3,5-bis(2,2-dimethylpropoxy)phenyl]acetaldehyde
CID 87720248
1-(3-ethoxy-5-methylphenyl)ethanol
CID 171367862
1-chloro-3-methyl-5-(2,2,2-trifluoroethoxy)benzene;ethane
CID 155737841
3,5-diethoxyaniline
CID 22605063
1-bromo-3,5-diethoxybenzene
CID 150473293
1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428
4-(2,2-dimethylpropoxy)-2-methylpyridine
CID 135279378
tris(3,5-diethoxyphenyl)phosphane
CID 22768293

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropoxy)-3-ethoxy-5-methylbenzene?
The IUPAC name of 1-(2,2-dimethylpropoxy)-3-ethoxy-5-methylbenzene (CID 170603030) is 1-(2,2-dimethylpropoxy)-3-ethoxy-5-methylbenzene.
What is the SMILES notation for 1-(2,2-dimethylpropoxy)-3-ethoxy-5-methylbenzene?
The canonical SMILES for 1-(2,2-dimethylpropoxy)-3-ethoxy-5-methylbenzene is CCOc1cc(C)cc(OCC(C)(C)C)c1.
What is the InChIKey of 1-(2,2-dimethylpropoxy)-3-ethoxy-5-methylbenzene?
The InChIKey is OWBJWEHZBNEDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-6-15-12-7-11(2)8-13(9-12)16-10-14(3,4)5/h7-9H,6,10H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpropoxy)-3-ethoxy-5-methylbenzene?
1-(2,2-dimethylpropoxy)-3-ethoxy-5-methylbenzene has a molecular weight of 222.33 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropoxy)-3-ethoxy-5-methylbenzene is sourced from PubChem (CID 170603030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).