2-(butoxymethoxy)ethylbenzene

C13H20O2 — CID 14640423

IUPAC2-(butoxymethoxy)ethylbenzene
SMILESCCCCOCOCCc1ccccc1
InChIInChI=1S/C13H20O2/c1-2-3-10-14-12-15-11-9-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3
InChIKeyPYQQNUGIBRPDKL-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.02
Rot. Bonds8

About 2-(butoxymethoxy)ethylbenzene

2-(butoxymethoxy)ethylbenzene (PubChem CID 14640423) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(butoxymethoxy)ethylbenzene.

Molecular Properties

Compound Name2-(butoxymethoxy)ethylbenzene
PubChem CID14640423
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-(butoxymethoxy)ethylbenzene
SMILESCCCCOCOCCc1ccccc1
InChIInChI=1S/C13H20O2/c1-2-3-10-14-12-15-11-9-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3
InChIKeyPYQQNUGIBRPDKL-UHFFFAOYSA-N
XLogP3.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(butoxymethoxy)ethylbenzene?
The IUPAC name of 2-(butoxymethoxy)ethylbenzene (CID 14640423) is 2-(butoxymethoxy)ethylbenzene.
What is the SMILES notation for 2-(butoxymethoxy)ethylbenzene?
The canonical SMILES for 2-(butoxymethoxy)ethylbenzene is CCCCOCOCCc1ccccc1.
What is the InChIKey of 2-(butoxymethoxy)ethylbenzene?
The InChIKey is PYQQNUGIBRPDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-3-10-14-12-15-11-9-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3.
What are the key properties of 2-(butoxymethoxy)ethylbenzene?
2-(butoxymethoxy)ethylbenzene has a molecular weight of 208.30 g/mol, XLogP of 3.02, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxymethoxy)ethylbenzene is sourced from PubChem (CID 14640423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).