[ethoxy(2-ethoxyethoxy)methyl]benzene

C13H20O3 — CID 139725273

IUPAC[ethoxy(2-ethoxyethoxy)methyl]benzene
SMILESCCOCCOC(OCC)c1ccccc1
InChIInChI=1S/C13H20O3/c1-3-14-10-11-16-13(15-4-2)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKeyRHISDPBVWQEOGZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.77
Rot. Bonds8

About [ethoxy(2-ethoxyethoxy)methyl]benzene

[ethoxy(2-ethoxyethoxy)methyl]benzene (PubChem CID 139725273) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is [ethoxy(2-ethoxyethoxy)methyl]benzene.

Molecular Properties

Compound Name[ethoxy(2-ethoxyethoxy)methyl]benzene
PubChem CID139725273
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name[ethoxy(2-ethoxyethoxy)methyl]benzene
SMILESCCOCCOC(OCC)c1ccccc1
InChIInChI=1S/C13H20O3/c1-3-14-10-11-16-13(15-4-2)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKeyRHISDPBVWQEOGZ-UHFFFAOYSA-N
XLogP2.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

Benzyl acetate
CID 8785
Benzyl formate
CID 7708
Benzaldehyde dimethyl acetal
CID 62375
Benzyl propionate
CID 31219
Phenylacetaldehyde 2,3-butylene glycol acetal
CID 230525
Benzyl ethyl ether
CID 10873
2-(Benzyloxy) ethanol
CID 12141
Benzyl butyl ether
CID 61134
Acetaldehyde phenethyl propyl acetal
CID 61403
Phenyl acetaldehyde diisobutyl acetal
CID 71544
Benzaldehyde propylene glycol acetal
CID 595928
(Diethoxymethyl)benzene
CID 69884

Frequently Asked Questions

What is the IUPAC name of [ethoxy(2-ethoxyethoxy)methyl]benzene?
The IUPAC name of [ethoxy(2-ethoxyethoxy)methyl]benzene (CID 139725273) is [ethoxy(2-ethoxyethoxy)methyl]benzene.
What is the SMILES notation for [ethoxy(2-ethoxyethoxy)methyl]benzene?
The canonical SMILES for [ethoxy(2-ethoxyethoxy)methyl]benzene is CCOCCOC(OCC)c1ccccc1.
What is the InChIKey of [ethoxy(2-ethoxyethoxy)methyl]benzene?
The InChIKey is RHISDPBVWQEOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c1-3-14-10-11-16-13(15-4-2)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3.
What are the key properties of [ethoxy(2-ethoxyethoxy)methyl]benzene?
[ethoxy(2-ethoxyethoxy)methyl]benzene has a molecular weight of 224.30 g/mol, XLogP of 2.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(2-ethoxyethoxy)methyl]benzene is sourced from PubChem (CID 139725273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).