4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene

C18H30O3 — CID 129113813

IUPAC4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene
SMILESCCCCCCOCCOCCOc1ccc(C)c(C)c1
InChIInChI=1S/C18H30O3/c1-4-5-6-7-10-19-11-12-20-13-14-21-18-9-8-16(2)17(3)15-18/h8-9,15H,4-7,10-14H2,1-3H3
InChIKeyQGASSDKJSKOHSV-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.30
Rot. Bonds12

About 4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene

4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene (PubChem CID 129113813) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene
PubChem CID129113813
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Name4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene
SMILESCCCCCCOCCOCCOc1ccc(C)c(C)c1
InChIInChI=1S/C18H30O3/c1-4-5-6-7-10-19-11-12-20-13-14-21-18-9-8-16(2)17(3)15-18/h8-9,15H,4-7,10-14H2,1-3H3
InChIKeyQGASSDKJSKOHSV-UHFFFAOYSA-N
XLogP4.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethyl-4-(2-propoxyethoxy)benzene
CID 155584258
4-[2-(6-bromohexoxy)ethoxy]-1,2-dimethylbenzene
CID 23045318
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
1,3-bis(2-hexoxyethoxy)benzene
CID 118037379
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
1,2-dimethyl-4-propoxybenzene
CID 23549082
1-butyl-2-methyl-4-(2-propoxyethoxy)benzene
CID 123147082
1-[2-(2-hexoxyethoxy)ethoxy]-4-methoxybenzene
CID 58828240
2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900
2-[2-(3,4-dimethylphenoxy)ethoxy]ethanol
CID 61074623
4-(2-heptoxyethoxy)aniline
CID 43366149
2-methyl-4-nonoxyaniline
CID 43128997

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene?
The IUPAC name of 4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene (CID 129113813) is 4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene?
The canonical SMILES for 4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene is CCCCCCOCCOCCOc1ccc(C)c(C)c1.
What is the InChIKey of 4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene?
The InChIKey is QGASSDKJSKOHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-4-5-6-7-10-19-11-12-20-13-14-21-18-9-8-16(2)17(3)15-18/h8-9,15H,4-7,10-14H2,1-3H3.
What are the key properties of 4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene?
4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene has a molecular weight of 294.44 g/mol, XLogP of 4.30, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene is sourced from PubChem (CID 129113813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).