2,2-dimethoxyethoxymethylbenzene

C11H16O3 — CID 7021458

IUPAC2,2-dimethoxyethoxymethylbenzene
SMILESCOC(COCc1ccccc1)OC
InChIInChI=1S/C11H16O3/c1-12-11(13-2)9-14-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKeyQITBBLPNYKECAZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.82
Rot. Bonds6

About 2,2-dimethoxyethoxymethylbenzene

2,2-dimethoxyethoxymethylbenzene (PubChem CID 7021458) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,2-dimethoxyethoxymethylbenzene.

Molecular Properties

Compound Name2,2-dimethoxyethoxymethylbenzene
PubChem CID7021458
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2,2-dimethoxyethoxymethylbenzene
SMILESCOC(COCc1ccccc1)OC
InChIInChI=1S/C11H16O3/c1-12-11(13-2)9-14-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
InChIKeyQITBBLPNYKECAZ-UHFFFAOYSA-N
XLogP1.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 8785
CID 8785
CID 7708
CID 7708
CID 7650
CID 7650
CID 62375
CID 62375
CID 7651
CID 7651
CID 31219
CID 31219
CID 7646
CID 7646
CID 60995
CID 60995
CID 230525
CID 230525
CID 10873
CID 10873
CID 12141
CID 12141
CID 61134
CID 61134

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxyethoxymethylbenzene?
The IUPAC name of 2,2-dimethoxyethoxymethylbenzene (CID 7021458) is 2,2-dimethoxyethoxymethylbenzene.
What is the SMILES notation for 2,2-dimethoxyethoxymethylbenzene?
The canonical SMILES for 2,2-dimethoxyethoxymethylbenzene is COC(COCc1ccccc1)OC.
What is the InChIKey of 2,2-dimethoxyethoxymethylbenzene?
The InChIKey is QITBBLPNYKECAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-12-11(13-2)9-14-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3.
What are the key properties of 2,2-dimethoxyethoxymethylbenzene?
2,2-dimethoxyethoxymethylbenzene has a molecular weight of 196.25 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyethoxymethylbenzene is sourced from PubChem (CID 7021458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).