1,2-bis(1,1-diethoxyethoxy)benzene

C18H30O6 — CID 173070226

IUPAC1,2-bis(1,1-diethoxyethoxy)benzene
SMILESCCOC(C)(OCC)Oc1ccccc1OC(C)(OCC)OCC
InChIInChI=1S/C18H30O6/c1-7-19-17(5,20-8-2)23-15-13-11-12-14-16(15)24-18(6,21-9-3)22-10-4/h11-14H,7-10H2,1-6H3
InChIKeyZJFIMOWMAYYOEM-UHFFFAOYSA-N
MW342.43 g/mol
LogP3.94
Rot. Bonds12

About 1,2-bis(1,1-diethoxyethoxy)benzene

1,2-bis(1,1-diethoxyethoxy)benzene (PubChem CID 173070226) has the molecular formula C18H30O6 and a molecular weight of 342.43 g/mol. Its IUPAC name is 1,2-bis(1,1-diethoxyethoxy)benzene.

Molecular Properties

Compound Name1,2-bis(1,1-diethoxyethoxy)benzene
PubChem CID173070226
Molecular FormulaC18H30O6
Molecular Weight342.43 g/mol
Exact Mass342.20
IUPAC Name1,2-bis(1,1-diethoxyethoxy)benzene
SMILESCCOC(C)(OCC)Oc1ccccc1OC(C)(OCC)OCC
InChIInChI=1S/C18H30O6/c1-7-19-17(5,20-8-2)23-15-13-11-12-14-16(15)24-18(6,21-9-3)22-10-4/h11-14H,7-10H2,1-6H3
InChIKeyZJFIMOWMAYYOEM-UHFFFAOYSA-N
XLogP3.94
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1-diethoxypropoxy)-2-pentoxybenzene
CID 70310177
2-ethyl-1,3-bis[(2-methylpropan-2-yl)oxy]benzene
CID 91197714
1-[1-ethoxy-1-(2-methylphenyl)ethyl]-2-methylbenzene
CID 67864270
1-(3-bromo-2,2-dimethylpropoxy)-2-ethoxybenzene
CID 64995079
3-(2-ethoxyphenoxy)-2,2-dimethylpropan-1-ol
CID 79019083
2-(2-ethoxyphenoxy)-2-methylbutanoic acid
CID 114990551
CID 175290532
CID 175290532
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
[2-[(2-methylpropan-2-yl)oxy]phenyl] propanoate
CID 175303844
1,4-bis(2-ethoxypropan-2-yl)benzene
CID 54144220
1-(1,1-difluoroethoxy)-2-ethylbenzene
CID 144727435
1-ethyl-2-(2-methylbutan-2-yloxy)benzene
CID 13132255

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(1,1-diethoxyethoxy)benzene?
The IUPAC name of 1,2-bis(1,1-diethoxyethoxy)benzene (CID 173070226) is 1,2-bis(1,1-diethoxyethoxy)benzene.
What is the SMILES notation for 1,2-bis(1,1-diethoxyethoxy)benzene?
The canonical SMILES for 1,2-bis(1,1-diethoxyethoxy)benzene is CCOC(C)(OCC)Oc1ccccc1OC(C)(OCC)OCC.
What is the InChIKey of 1,2-bis(1,1-diethoxyethoxy)benzene?
The InChIKey is ZJFIMOWMAYYOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O6/c1-7-19-17(5,20-8-2)23-15-13-11-12-14-16(15)24-18(6,21-9-3)22-10-4/h11-14H,7-10H2,1-6H3.
What are the key properties of 1,2-bis(1,1-diethoxyethoxy)benzene?
1,2-bis(1,1-diethoxyethoxy)benzene has a molecular weight of 342.43 g/mol, XLogP of 3.94, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(1,1-diethoxyethoxy)benzene is sourced from PubChem (CID 173070226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).