2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene

C16H26O3 — CID 90397544

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene
SMILESCOCCOCCOc1c(C)cc(C(C)C)cc1C
InChIInChI=1S/C16H26O3/c1-12(2)15-10-13(3)16(14(4)11-15)19-9-8-18-7-6-17-5/h10-12H,6-9H2,1-5H3
InChIKeyAQKDEDKQVPRYQI-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.47
Rot. Bonds8

About 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene

2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene (PubChem CID 90397544) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene
PubChem CID90397544
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene
SMILESCOCCOCCOc1c(C)cc(C(C)C)cc1C
InChIInChI=1S/C16H26O3/c1-12(2)15-10-13(3)16(14(4)11-15)19-9-8-18-7-6-17-5/h10-12H,6-9H2,1-5H3
InChIKeyAQKDEDKQVPRYQI-UHFFFAOYSA-N
XLogP3.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.47
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

2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
CID 83057558
1-[4-[2-(3-methoxypropoxy)ethoxy]-3,5-dimethylphenyl]propan-2-amine
CID 103181855
5-bromo-1-(chloromethyl)-2-[2-(2-methoxyethoxy)ethoxy]-3-methylbenzene
CID 112621295
5-ethyl-2-(2-methoxyethoxy)-1,3-dimethylbenzene
CID 174787766
5-bromo-2-[2-(2-methoxyethoxy)ethoxy]-3-methylbenzoic acid
CID 112620899
2-[2-(3-methoxypropoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 103184405
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
2-[2-(2-methoxyethoxy)ethoxy]-3,5-dimethylbenzaldehyde
CID 155578590
2-[2-(2-methoxyethoxy)ethoxy]-3,4,5-trimethylbenzaldehyde
CID 155578596
1-[5-bromo-2-[2-(3-methoxypropoxy)ethoxy]-3-methylphenyl]propan-2-amine
CID 103181908
4-[2-(2,6-dimethyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 20871910
5-bromo-2-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]-1,3-dimethylbenzene
CID 2282940

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene (CID 90397544) is 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene is COCCOCCOc1c(C)cc(C(C)C)cc1C.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene?
The InChIKey is AQKDEDKQVPRYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-12(2)15-10-13(3)16(14(4)11-15)19-9-8-18-7-6-17-5/h10-12H,6-9H2,1-5H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene?
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene has a molecular weight of 266.38 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-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethyl-5-propan-2-ylbenzene is sourced from PubChem (CID 90397544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).