1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene

C18H30O5 — CID 142961182

IUPAC1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene
SMILESCOCCCOCCOCCOCCOc1ccc(C)cc1C
InChIInChI=1S/C18H30O5/c1-16-5-6-18(17(2)15-16)23-14-13-22-12-11-21-10-9-20-8-4-7-19-3/h5-6,15H,4,7-14H2,1-3H3
InChIKeyPJPMPLTXUSEFDV-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.77
Rot. Bonds14

About 1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene

1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene (PubChem CID 142961182) has the molecular formula C18H30O5 and a molecular weight of 326.43 g/mol. Its IUPAC name is 1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene
PubChem CID142961182
Molecular FormulaC18H30O5
Molecular Weight326.43 g/mol
Exact Mass326.21
IUPAC Name1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene
SMILESCOCCCOCCOCCOCCOc1ccc(C)cc1C
InChIInChI=1S/C18H30O5/c1-16-5-6-18(17(2)15-16)23-14-13-22-12-11-21-10-9-20-8-4-7-19-3/h5-6,15H,4,7-14H2,1-3H3
InChIKeyPJPMPLTXUSEFDV-UHFFFAOYSA-N
XLogP2.77
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-methoxypropoxy)ethoxy]-2,4-dimethylbenzene
CID 103184397
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]boronic acid
CID 103180882
[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methanol
CID 103180530
2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine
CID 28749670
(1R)-1-[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]ethanol
CID 103180545
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510
2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene
CID 103409894
4-[2-(3-methoxypropoxy)ethoxy]-3-methylbenzenesulfonyl chloride
CID 103178206
1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2284068
1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354127
2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029702

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene?
The IUPAC name of 1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene (CID 142961182) is 1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene?
The canonical SMILES for 1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene is COCCCOCCOCCOCCOc1ccc(C)cc1C.
What is the InChIKey of 1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene?
The InChIKey is PJPMPLTXUSEFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O5/c1-16-5-6-18(17(2)15-16)23-14-13-22-12-11-21-10-9-20-8-4-7-19-3/h5-6,15H,4,7-14H2,1-3H3.
What are the key properties of 1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene?
1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene has a molecular weight of 326.43 g/mol, XLogP of 2.77, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]-2,4-dimethylbenzene is sourced from PubChem (CID 142961182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).