1-(2,2-dimethoxyethoxy)-2-ethylbenzene

C12H18O3 — CID 66223177

IUPAC1-(2,2-dimethoxyethoxy)-2-ethylbenzene
SMILESCCc1ccccc1OCC(OC)OC
InChIInChI=1S/C12H18O3/c1-4-10-7-5-6-8-11(10)15-9-12(13-2)14-3/h5-8,12H,4,9H2,1-3H3
InChIKeyYCSUBNQDFCPRJZ-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.25
Rot. Bonds6

About 1-(2,2-dimethoxyethoxy)-2-ethylbenzene

1-(2,2-dimethoxyethoxy)-2-ethylbenzene (PubChem CID 66223177) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethoxy)-2-ethylbenzene.

Molecular Properties

Compound Name1-(2,2-dimethoxyethoxy)-2-ethylbenzene
PubChem CID66223177
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name1-(2,2-dimethoxyethoxy)-2-ethylbenzene
SMILESCCc1ccccc1OCC(OC)OC
InChIInChI=1S/C12H18O3/c1-4-10-7-5-6-8-11(10)15-9-12(13-2)14-3/h5-8,12H,4,9H2,1-3H3
InChIKeyYCSUBNQDFCPRJZ-UHFFFAOYSA-N
XLogP2.25
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.25
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

2-(2-ethylphenoxy)-1-phenylethanamine;hydrochloride
CID 162317712
1-(2,2-dimethoxyethoxy)-2-iodobenzene
CID 66221266
2-(2-ethylphenoxy)-1-phenylethanol
CID 60731173
1-(3,4-dimethylphenyl)-2-(2-ethylphenoxy)ethanamine
CID 43364252
2-(2-ethylphenoxy)-1-(2-methylphenyl)ethanamine
CID 43364243
N-ethyl-1-(2-ethylphenoxy)butan-2-amine
CID 62040851
3-(2-ethylphenoxy)-2-methylpropanamide
CID 64765862
2-(2-ethylphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 43364268
methyl 3-amino-4-(2-ethylphenoxy)butanoate
CID 116821280
3-(2-ethylphenoxy)-2-phenylpropan-1-amine
CID 112516482
1-(2-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43173825
1-(2,2-dimethoxyethoxy)-2,3-dimethylbenzene
CID 4198790

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethoxy)-2-ethylbenzene?
The IUPAC name of 1-(2,2-dimethoxyethoxy)-2-ethylbenzene (CID 66223177) is 1-(2,2-dimethoxyethoxy)-2-ethylbenzene.
What is the SMILES notation for 1-(2,2-dimethoxyethoxy)-2-ethylbenzene?
The canonical SMILES for 1-(2,2-dimethoxyethoxy)-2-ethylbenzene is CCc1ccccc1OCC(OC)OC.
What is the InChIKey of 1-(2,2-dimethoxyethoxy)-2-ethylbenzene?
The InChIKey is YCSUBNQDFCPRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-4-10-7-5-6-8-11(10)15-9-12(13-2)14-3/h5-8,12H,4,9H2,1-3H3.
What are the key properties of 1-(2,2-dimethoxyethoxy)-2-ethylbenzene?
1-(2,2-dimethoxyethoxy)-2-ethylbenzene has a molecular weight of 210.27 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethoxy)-2-ethylbenzene is sourced from PubChem (CID 66223177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).