2-decoxyethoxymethylbenzene

C19H32O2 — CID 144664365

IUPAC2-decoxyethoxymethylbenzene
SMILESCCCCCCCCCCOCCOCc1ccccc1
InChIInChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-12-15-20-16-17-21-18-19-13-10-9-11-14-19/h9-11,13-14H,2-8,12,15-18H2,1H3
InChIKeyZMDJMRPHXVPJKQ-UHFFFAOYSA-N
MW292.46 g/mol
LogP5.36
Rot. Bonds14

About 2-decoxyethoxymethylbenzene

2-decoxyethoxymethylbenzene (PubChem CID 144664365) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 2-decoxyethoxymethylbenzene.

Molecular Properties

Compound Name2-decoxyethoxymethylbenzene
PubChem CID144664365
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name2-decoxyethoxymethylbenzene
SMILESCCCCCCCCCCOCCOCc1ccccc1
InChIInChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-12-15-20-16-17-21-18-19-13-10-9-11-14-19/h9-11,13-14H,2-8,12,15-18H2,1H3
InChIKeyZMDJMRPHXVPJKQ-UHFFFAOYSA-N
XLogP5.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-decoxyethoxymethylbenzene?
The IUPAC name of 2-decoxyethoxymethylbenzene (CID 144664365) is 2-decoxyethoxymethylbenzene.
What is the SMILES notation for 2-decoxyethoxymethylbenzene?
The canonical SMILES for 2-decoxyethoxymethylbenzene is CCCCCCCCCCOCCOCc1ccccc1.
What is the InChIKey of 2-decoxyethoxymethylbenzene?
The InChIKey is ZMDJMRPHXVPJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-12-15-20-16-17-21-18-19-13-10-9-11-14-19/h9-11,13-14H,2-8,12,15-18H2,1H3.
What are the key properties of 2-decoxyethoxymethylbenzene?
2-decoxyethoxymethylbenzene has a molecular weight of 292.46 g/mol, XLogP of 5.36, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decoxyethoxymethylbenzene is sourced from PubChem (CID 144664365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).