1-tert-butyl-2-(2,2-diethoxyethoxy)benzene

C16H26O3 — CID 13416777

IUPAC1-tert-butyl-2-(2,2-diethoxyethoxy)benzene
SMILESCCOC(COc1ccccc1C(C)(C)C)OCC
InChIInChI=1S/C16H26O3/c1-6-17-15(18-7-2)12-19-14-11-9-8-10-13(14)16(3,4)5/h8-11,15H,6-7,12H2,1-5H3
InChIKeyYOLBHPCHKMIZHW-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.76
Rot. Bonds7

About 1-tert-butyl-2-(2,2-diethoxyethoxy)benzene

1-tert-butyl-2-(2,2-diethoxyethoxy)benzene (PubChem CID 13416777) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-tert-butyl-2-(2,2-diethoxyethoxy)benzene.

Molecular Properties

Compound Name1-tert-butyl-2-(2,2-diethoxyethoxy)benzene
PubChem CID13416777
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name1-tert-butyl-2-(2,2-diethoxyethoxy)benzene
SMILESCCOC(COc1ccccc1C(C)(C)C)OCC
InChIInChI=1S/C16H26O3/c1-6-17-15(18-7-2)12-19-14-11-9-8-10-13(14)16(3,4)5/h8-11,15H,6-7,12H2,1-5H3
InChIKeyYOLBHPCHKMIZHW-UHFFFAOYSA-N
XLogP3.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.76
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

1-(2,2-diethoxyethoxy)-2-(trifluoromethyl)benzene
CID 63628931
1,4-ditert-butyl-2,5-bis(2,2-diethoxyethoxy)benzene
CID 86021610
1-(2-tert-butylphenoxy)propan-2-amine
CID 16795188
1-(2,2-diethoxyethoxy)-2-iodobenzene
CID 63630107
2-[2-(2,2-diethoxyethoxy)phenyl]ethanol
CID 58168566
2-(2-tert-butylphenoxy)-1-cyclopropyl-N-ethylethanamine
CID 63912498
1-tert-butyl-2-heptoxybenzene
CID 64763672
1-tert-butyl-2-prop-2-enoxybenzene
CID 637356
1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 2873516
2-(2-tert-butylphenoxy)-N-ethylethanamine
CID 29015338
2-(2-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104748352
2-(2,2-diethoxyethoxy)-6-fluorobenzamide
CID 63630436

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2,2-diethoxyethoxy)benzene?
The IUPAC name of 1-tert-butyl-2-(2,2-diethoxyethoxy)benzene (CID 13416777) is 1-tert-butyl-2-(2,2-diethoxyethoxy)benzene.
What is the SMILES notation for 1-tert-butyl-2-(2,2-diethoxyethoxy)benzene?
The canonical SMILES for 1-tert-butyl-2-(2,2-diethoxyethoxy)benzene is CCOC(COc1ccccc1C(C)(C)C)OCC.
What is the InChIKey of 1-tert-butyl-2-(2,2-diethoxyethoxy)benzene?
The InChIKey is YOLBHPCHKMIZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-6-17-15(18-7-2)12-19-14-11-9-8-10-13(14)16(3,4)5/h8-11,15H,6-7,12H2,1-5H3.
What are the key properties of 1-tert-butyl-2-(2,2-diethoxyethoxy)benzene?
1-tert-butyl-2-(2,2-diethoxyethoxy)benzene has a molecular weight of 266.38 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2,2-diethoxyethoxy)benzene is sourced from PubChem (CID 13416777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).