5-tert-butyl-7-ethyl-2,3-dihydro-1,4-benzodioxine

C14H20O2 — CID 71106542

IUPAC5-tert-butyl-7-ethyl-2,3-dihydro-1,4-benzodioxine
SMILESCCc1cc2c(c(C(C)(C)C)c1)OCCO2
InChIInChI=1S/C14H20O2/c1-5-10-8-11(14(2,3)4)13-12(9-10)15-6-7-16-13/h8-9H,5-7H2,1-4H3
InChIKeyZGBYBWGWRIIZIO-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.32
Rot. Bonds1

About 5-tert-butyl-7-ethyl-2,3-dihydro-1,4-benzodioxine

5-tert-butyl-7-ethyl-2,3-dihydro-1,4-benzodioxine (PubChem CID 71106542) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 5-tert-butyl-7-ethyl-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name5-tert-butyl-7-ethyl-2,3-dihydro-1,4-benzodioxine
PubChem CID71106542
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name5-tert-butyl-7-ethyl-2,3-dihydro-1,4-benzodioxine
SMILESCCc1cc2c(c(C(C)(C)C)c1)OCCO2
InChIInChI=1S/C14H20O2/c1-5-10-8-11(14(2,3)4)13-12(9-10)15-6-7-16-13/h8-9H,5-7H2,1-4H3
InChIKeyZGBYBWGWRIIZIO-UHFFFAOYSA-N
XLogP3.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethyl-2,3-dihydro-1,4-benzodioxine-5-carbonitrile
CID 139502379
5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-7-fluoro-2,3-dihydro-1,4-benzodioxine
CID 156737877
4-tert-butyl-6-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-1,3-benzodioxole
CID 167182473
2-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-amine
CID 117392753
1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-2-amine
CID 117323267
1,1-bis(2,6-ditert-butyl-4-ethylphenyl)-2,2-dimethylpropan-1-ol
CID 158209428
2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-methylpropan-1-ol
CID 117349268
2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 117284513
6-ethyl-2,3-dihydro-1,4-benzodioxine-5,7-diol
CID 90370994
11,24-diethyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene
CID 3355803
2-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117485122
(2S)-2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-3-methylbutan-1-ol
CID 79254272

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7-ethyl-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 5-tert-butyl-7-ethyl-2,3-dihydro-1,4-benzodioxine (CID 71106542) is 5-tert-butyl-7-ethyl-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 5-tert-butyl-7-ethyl-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 5-tert-butyl-7-ethyl-2,3-dihydro-1,4-benzodioxine is CCc1cc2c(c(C(C)(C)C)c1)OCCO2.
What is the InChIKey of 5-tert-butyl-7-ethyl-2,3-dihydro-1,4-benzodioxine?
The InChIKey is ZGBYBWGWRIIZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-5-10-8-11(14(2,3)4)13-12(9-10)15-6-7-16-13/h8-9H,5-7H2,1-4H3.
What are the key properties of 5-tert-butyl-7-ethyl-2,3-dihydro-1,4-benzodioxine?
5-tert-butyl-7-ethyl-2,3-dihydro-1,4-benzodioxine has a molecular weight of 220.31 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-7-ethyl-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 71106542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).