3,4-ditert-butyl-2,5-dihydrofuran;bis(4,5-ditert-butyl-2,3-dihydrofuran);bis(2,3-ditert-butylfuran);bis(3,4-ditert-butylfuran);bis(4,5-ditert-butyl-1H-imidazole);3,4-ditert-butyl-1,2-oxazole;bis(4,5-ditert-butyl-1,2-oxazole);4,5-ditert-butyl-1,3-oxazole;tetrakis(4,5-ditert-butyl-1H-pyrazole);bis(2,3-ditert-butyl-1H-pyrrole);3,4-ditert-butyl-1H-pyrrole;bis(4,5-ditert-butyl-2H-triazole);ethane

C294H575N25O11 — CID 161156609

IUPAC3,4-ditert-butyl-2,5-dihydrofuran;bis(4,5-ditert-butyl-2,3-dihydrofuran);bis(2,3-ditert-butylfuran);bis(3,4-ditert-butylfuran);bis(4,5-ditert-butyl-1H-imidazole);3,4-ditert-butyl-1,2-oxazole;bis(4,5-ditert-butyl-1,2-oxazole);4,5-ditert-butyl-1,3-oxazole;tetrakis(4,5-ditert-butyl-1H-pyrazole);bis(2,3-ditert-butyl-1H-pyrrole);3,4-ditert-butyl-1H-pyrrole;bis(4,5-ditert-butyl-2H-triazole);ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=C(C(C)(C)C)COC1.CC(C)(C)C1=C(C(C)(C)C)OCC1.CC(C)(C)C1=C(C(C)(C)C)OCC1.CC(C)(C)c1c[nH]cc1C(C)(C)C.CC(C)(C)c1cc[nH]c1C(C)(C)C.CC(C)(C)c1cc[nH]c1C(C)(C)C.CC(C)(C)c1ccoc1C(C)(C)C.CC(C)(C)c1ccoc1C(C)(C)C.CC(C)(C)c1cn[nH]c1C(C)(C)C.CC(C)(C)c1cn[nH]c1C(C)(C)C.CC(C)(C)c1cn[nH]c1C(C)(C)C.CC(C)(C)c1cn[nH]c1C(C)(C)C.CC(C)(C)c1cnoc1C(C)(C)C.CC(C)(C)c1cnoc1C(C)(C)C.CC(C)(C)c1cocc1C(C)(C)C.CC(C)(C)c1cocc1C(C)(C)C.CC(C)(C)c1conc1C(C)(C)C.CC(C)(C)c1n[nH]nc1C(C)(C)C.CC(C)(C)c1n[nH]nc1C(C)(C)C.CC(C)(C)c1nc[nH]c1C(C)(C)C.CC(C)(C)c1nc[nH]c1C(C)(C)C.CC(C)(C)c1ncoc1C(C)(C)C
InChIInChI=1S/3C12H21N.C12H22O.2C12H20O.2C12H22O.2C12H20O.6C11H20N2.4C11H19NO.2C10H19N3.22C2H6/c1-11(2,3)9-7-13-8-10(9)12(4,5)6;2*1-11(2,3)9-7-8-13-10(9)12(4,5)6;3*1-11(2,3)9-7-13-8-10(9)12(4,5)6;4*1-11(2,3)9-7-8-13-10(9)12(4,5)6;2*1-10(2,3)8-9(11(4,5)6)13-7-12-8;4*1-10(2,3)8-7-12-13-9(8)11(4,5)6;1-10(2,3)8-9(11(4,5)6)13-7-12-8;1-10(2,3)8-7-13-12-9(8)11(4,5)6;2*1-10(2,3)8-7-12-13-9(8)11(4,5)6;2*1-9(2,3)7-8(10(4,5)6)12-13-11-7;22*1-2/h3*7-8,13H,1-6H3;7-8H2,1-6H3;2*7-8H,1-6H3;2*7-8H2,1-6H3;2*7-8H,1-6H3;6*7H,1-6H3,(H,12,13);4*7H,1-6H3;2*1-6H3,(H,11,12,13);22*1-2H3
InChIKeyUPJLLCXYGRRNDO-UHFFFAOYSA-N
MW4637.00 g/mol
LogP95.72
Rot. Bonds

About 3,4-ditert-butyl-2,5-dihydrofuran;bis(4,5-ditert-butyl-2,3-dihydrofuran);bis(2,3-ditert-butylfuran);bis(3,4-ditert-butylfuran);bis(4,5-ditert-butyl-1H-imidazole);3,4-ditert-butyl-1,2-oxazole;bis(4,5-ditert-butyl-1,2-oxazole);4,5-ditert-butyl-1,3-oxazole;tetrakis(4,5-ditert-butyl-1H-pyrazole);bis(2,3-ditert-butyl-1H-pyrrole);3,4-ditert-butyl-1H-pyrrole;bis(4,5-ditert-butyl-2H-triazole);ethane

3,4-ditert-butyl-2,5-dihydrofuran;bis(4,5-ditert-butyl-2,3-dihydrofuran);bis(2,3-ditert-butylfuran);bis(3,4-ditert-butylfuran);bis(4,5-ditert-butyl-1H-imidazole);3,4-ditert-butyl-1,2-oxazole;bis(4,5-ditert-butyl-1,2-oxazole);4,5-ditert-butyl-1,3-oxazole;tetrakis(4,5-ditert-butyl-1H-pyrazole);bis(2,3-ditert-butyl-1H-pyrrole);3,4-ditert-butyl-1H-pyrrole;bis(4,5-ditert-butyl-2H-triazole);ethane (PubChem CID 161156609) has the molecular formula C294H575N25O11 and a molecular weight of 4637.00 g/mol. Its IUPAC name is 3,4-ditert-butyl-2,5-dihydrofuran;bis(4,5-ditert-butyl-2,3-dihydrofuran);bis(2,3-ditert-butylfuran);bis(3,4-ditert-butylfuran);bis(4,5-ditert-butyl-1H-imidazole);3,4-ditert-butyl-1,2-oxazole;bis(4,5-ditert-butyl-1,2-oxazole);4,5-ditert-butyl-1,3-oxazole;tetrakis(4,5-ditert-butyl-1H-pyrazole);bis(2,3-ditert-butyl-1H-pyrrole);3,4-ditert-butyl-1H-pyrrole;bis(4,5-ditert-butyl-2H-triazole);ethane.

Molecular Properties

Compound Name3,4-ditert-butyl-2,5-dihydrofuran;bis(4,5-ditert-butyl-2,3-dihydrofuran);bis(2,3-ditert-butylfuran);bis(3,4-ditert-butylfuran);bis(4,5-ditert-butyl-1H-imidazole);3,4-ditert-butyl-1,2-oxazole;bis(4,5-ditert-butyl-1,2-oxazole);4,5-ditert-butyl-1,3-oxazole;tetrakis(4,5-ditert-butyl-1H-pyrazole);bis(2,3-ditert-butyl-1H-pyrrole);3,4-ditert-butyl-1H-pyrrole;bis(4,5-ditert-butyl-2H-triazole);ethane
PubChem CID161156609
Molecular FormulaC294H575N25O11
Molecular Weight4637.00 g/mol
Exact Mass4633.52
IUPAC Name3,4-ditert-butyl-2,5-dihydrofuran;bis(4,5-ditert-butyl-2,3-dihydrofuran);bis(2,3-ditert-butylfuran);bis(3,4-ditert-butylfuran);bis(4,5-ditert-butyl-1H-imidazole);3,4-ditert-butyl-1,2-oxazole;bis(4,5-ditert-butyl-1,2-oxazole);4,5-ditert-butyl-1,3-oxazole;tetrakis(4,5-ditert-butyl-1H-pyrazole);bis(2,3-ditert-butyl-1H-pyrrole);3,4-ditert-butyl-1H-pyrrole;bis(4,5-ditert-butyl-2H-triazole);ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=C(C(C)(C)C)COC1.CC(C)(C)C1=C(C(C)(C)C)OCC1.CC(C)(C)C1=C(C(C)(C)C)OCC1.CC(C)(C)c1c[nH]cc1C(C)(C)C.CC(C)(C)c1cc[nH]c1C(C)(C)C.CC(C)(C)c1cc[nH]c1C(C)(C)C.CC(C)(C)c1ccoc1C(C)(C)C.CC(C)(C)c1ccoc1C(C)(C)C.CC(C)(C)c1cn[nH]c1C(C)(C)C.CC(C)(C)c1cn[nH]c1C(C)(C)C.CC(C)(C)c1cn[nH]c1C(C)(C)C.CC(C)(C)c1cn[nH]c1C(C)(C)C.CC(C)(C)c1cnoc1C(C)(C)C.CC(C)(C)c1cnoc1C(C)(C)C.CC(C)(C)c1cocc1C(C)(C)C.CC(C)(C)c1cocc1C(C)(C)C.CC(C)(C)c1conc1C(C)(C)C.CC(C)(C)c1n[nH]nc1C(C)(C)C.CC(C)(C)c1n[nH]nc1C(C)(C)C.CC(C)(C)c1nc[nH]c1C(C)(C)C.CC(C)(C)c1nc[nH]c1C(C)(C)C.CC(C)(C)c1ncoc1C(C)(C)C
InChIInChI=1S/3C12H21N.C12H22O.2C12H20O.2C12H22O.2C12H20O.6C11H20N2.4C11H19NO.2C10H19N3.22C2H6/c1-11(2,3)9-7-13-8-10(9)12(4,5)6;2*1-11(2,3)9-7-8-13-10(9)12(4,5)6;3*1-11(2,3)9-7-13-8-10(9)12(4,5)6;4*1-11(2,3)9-7-8-13-10(9)12(4,5)6;2*1-10(2,3)8-9(11(4,5)6)13-7-12-8;4*1-10(2,3)8-7-12-13-9(8)11(4,5)6;1-10(2,3)8-9(11(4,5)6)13-7-12-8;1-10(2,3)8-7-13-12-9(8)11(4,5)6;2*1-10(2,3)8-7-12-13-9(8)11(4,5)6;2*1-9(2,3)7-8(10(4,5)6)12-13-11-7;22*1-2/h3*7-8,13H,1-6H3;7-8H2,1-6H3;2*7-8H,1-6H3;2*7-8H2,1-6H3;2*7-8H,1-6H3;6*7H,1-6H3,(H,12,13);4*7H,1-6H3;2*1-6H3,(H,11,12,13);22*1-2H3
InChIKeyUPJLLCXYGRRNDO-UHFFFAOYSA-N
XLogP95.72
TPSA486.96 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds
Heavy Atoms330
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004637.00
LogP ≤ 595.72
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Analyze 3,4-ditert-butyl-2,5-dihydrofuran;bis(4,5-ditert-butyl-2,3-dihydrofuran);bis(2,3-ditert-butylfuran);bis(3,4-ditert-butylfuran);bis(4,5-ditert-butyl-1H-imidazole);3,4-ditert-butyl-1,2-oxazole;bis(4,5-ditert-butyl-1,2-oxazole);4,5-ditert-butyl-1,3-oxazole;tetrakis(4,5-ditert-butyl-1H-pyrazole);bis(2,3-ditert-butyl-1H-pyrrole);3,4-ditert-butyl-1H-pyrrole;bis(4,5-ditert-butyl-2H-triazole);ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,4-ditert-butyl-2,5-dihydrofuran;bis(4,5-ditert-butyl-2,3-dihydrofuran);bis(2,3-ditert-butylfuran);bis(3,4-ditert-butylfuran);bis(4,5-ditert-butyl-1H-imidazole);3,4-ditert-butyl-1,2-oxazole;bis(4,5-ditert-butyl-1,2-oxazole);4,5-ditert-butyl-1,3-oxazole;tetrakis(4,5-ditert-butyl-1H-pyrazole);bis(2,3-ditert-butyl-1H-pyrrole);3,4-ditert-butyl-1H-pyrrole;bis(4,5-ditert-butyl-2H-triazole);ethane?
The IUPAC name of 3,4-ditert-butyl-2,5-dihydrofuran;bis(4,5-ditert-butyl-2,3-dihydrofuran);bis(2,3-ditert-butylfuran);bis(3,4-ditert-butylfuran);bis(4,5-ditert-butyl-1H-imidazole);3,4-ditert-butyl-1,2-oxazole;bis(4,5-ditert-butyl-1,2-oxazole);4,5-ditert-butyl-1,3-oxazole;tetrakis(4,5-ditert-butyl-1H-pyrazole);bis(2,3-ditert-butyl-1H-pyrrole);3,4-ditert-butyl-1H-pyrrole;bis(4,5-ditert-butyl-2H-triazole);ethane (CID 161156609) is 3,4-ditert-butyl-2,5-dihydrofuran;bis(4,5-ditert-butyl-2,3-dihydrofuran);bis(2,3-ditert-butylfuran);bis(3,4-ditert-butylfuran);bis(4,5-ditert-butyl-1H-imidazole);3,4-ditert-butyl-1,2-oxazole;bis(4,5-ditert-butyl-1,2-oxazole);4,5-ditert-butyl-1,3-oxazole;tetrakis(4,5-ditert-butyl-1H-pyrazole);bis(2,3-ditert-butyl-1H-pyrrole);3,4-ditert-butyl-1H-pyrrole;bis(4,5-ditert-butyl-2H-triazole);ethane.
What is the SMILES notation for 3,4-ditert-butyl-2,5-dihydrofuran;bis(4,5-ditert-butyl-2,3-dihydrofuran);bis(2,3-ditert-butylfuran);bis(3,4-ditert-butylfuran);bis(4,5-ditert-butyl-1H-imidazole);3,4-ditert-butyl-1,2-oxazole;bis(4,5-ditert-butyl-1,2-oxazole);4,5-ditert-butyl-1,3-oxazole;tetrakis(4,5-ditert-butyl-1H-pyrazole);bis(2,3-ditert-butyl-1H-pyrrole);3,4-ditert-butyl-1H-pyrrole;bis(4,5-ditert-butyl-2H-triazole);ethane?
The canonical SMILES for 3,4-ditert-butyl-2,5-dihydrofuran;bis(4,5-ditert-butyl-2,3-dihydrofuran);bis(2,3-ditert-butylfuran);bis(3,4-ditert-butylfuran);bis(4,5-ditert-butyl-1H-imidazole);3,4-ditert-butyl-1,2-oxazole;bis(4,5-ditert-butyl-1,2-oxazole);4,5-ditert-butyl-1,3-oxazole;tetrakis(4,5-ditert-butyl-1H-pyrazole);bis(2,3-ditert-butyl-1H-pyrrole);3,4-ditert-butyl-1H-pyrrole;bis(4,5-ditert-butyl-2H-triazole);ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C1=C(C(C)(C)C)COC1.CC(C)(C)C1=C(C(C)(C)C)OCC1.CC(C)(C)C1=C(C(C)(C)C)OCC1.CC(C)(C)c1c[nH]cc1C(C)(C)C.CC(C)(C)c1cc[nH]c1C(C)(C)C.CC(C)(C)c1cc[nH]c1C(C)(C)C.CC(C)(C)c1ccoc1C(C)(C)C.CC(C)(C)c1ccoc1C(C)(C)C.CC(C)(C)c1cn[nH]c1C(C)(C)C.CC(C)(C)c1cn[nH]c1C(C)(C)C.CC(C)(C)c1cn[nH]c1C(C)(C)C.CC(C)(C)c1cn[nH]c1C(C)(C)C.CC(C)(C)c1cnoc1C(C)(C)C.CC(C)(C)c1cnoc1C(C)(C)C.CC(C)(C)c1cocc1C(C)(C)C.CC(C)(C)c1cocc1C(C)(C)C.CC(C)(C)c1conc1C(C)(C)C.CC(C)(C)c1n[nH]nc1C(C)(C)C.CC(C)(C)c1n[nH]nc1C(C)(C)C.CC(C)(C)c1nc[nH]c1C(C)(C)C.CC(C)(C)c1nc[nH]c1C(C)(C)C.CC(C)(C)c1ncoc1C(C)(C)C.
What is the InChIKey of 3,4-ditert-butyl-2,5-dihydrofuran;bis(4,5-ditert-butyl-2,3-dihydrofuran);bis(2,3-ditert-butylfuran);bis(3,4-ditert-butylfuran);bis(4,5-ditert-butyl-1H-imidazole);3,4-ditert-butyl-1,2-oxazole;bis(4,5-ditert-butyl-1,2-oxazole);4,5-ditert-butyl-1,3-oxazole;tetrakis(4,5-ditert-butyl-1H-pyrazole);bis(2,3-ditert-butyl-1H-pyrrole);3,4-ditert-butyl-1H-pyrrole;bis(4,5-ditert-butyl-2H-triazole);ethane?
The InChIKey is UPJLLCXYGRRNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H21N.C12H22O.2C12H20O.2C12H22O.2C12H20O.6C11H20N2.4C11H19NO.2C10H19N3.22C2H6/c1-11(2,3)9-7-13-8-10(9)12(4,5)6;2*1-11(2,3)9-7-8-13-10(9)12(4,5)6;3*1-11(2,3)9-7-13-8-10(9)12(4,5)6;4*1-11(2,3)9-7-8-13-10(9)12(4,5)6;2*1-10(2,3)8-9(11(4,5)6)13-7-12-8;4*1-10(2,3)8-7-12-13-9(8)11(4,5)6;1-10(2,3)8-9(11(4,5)6)13-7-12-8;1-10(2,3)8-7-13-12-9(8)11(4,5)6;2*1-10(2,3)8-7-12-13-9(8)11(4,5)6;2*1-9(2,3)7-8(10(4,5)6)12-13-11-7;22*1-2/h3*7-8,13H,1-6H3;7-8H2,1-6H3;2*7-8H,1-6H3;2*7-8H2,1-6H3;2*7-8H,1-6H3;6*7H,1-6H3,(H,12,13);4*7H,1-6H3;2*1-6H3,(H,11,12,13);22*1-2H3.
What are the key properties of 3,4-ditert-butyl-2,5-dihydrofuran;bis(4,5-ditert-butyl-2,3-dihydrofuran);bis(2,3-ditert-butylfuran);bis(3,4-ditert-butylfuran);bis(4,5-ditert-butyl-1H-imidazole);3,4-ditert-butyl-1,2-oxazole;bis(4,5-ditert-butyl-1,2-oxazole);4,5-ditert-butyl-1,3-oxazole;tetrakis(4,5-ditert-butyl-1H-pyrazole);bis(2,3-ditert-butyl-1H-pyrrole);3,4-ditert-butyl-1H-pyrrole;bis(4,5-ditert-butyl-2H-triazole);ethane?
3,4-ditert-butyl-2,5-dihydrofuran;bis(4,5-ditert-butyl-2,3-dihydrofuran);bis(2,3-ditert-butylfuran);bis(3,4-ditert-butylfuran);bis(4,5-ditert-butyl-1H-imidazole);3,4-ditert-butyl-1,2-oxazole;bis(4,5-ditert-butyl-1,2-oxazole);4,5-ditert-butyl-1,3-oxazole;tetrakis(4,5-ditert-butyl-1H-pyrazole);bis(2,3-ditert-butyl-1H-pyrrole);3,4-ditert-butyl-1H-pyrrole;bis(4,5-ditert-butyl-2H-triazole);ethane has a molecular weight of 4637.00 g/mol, XLogP of 95.72, 0 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-2,5-dihydrofuran;bis(4,5-ditert-butyl-2,3-dihydrofuran);bis(2,3-ditert-butylfuran);bis(3,4-ditert-butylfuran);bis(4,5-ditert-butyl-1H-imidazole);3,4-ditert-butyl-1,2-oxazole;bis(4,5-ditert-butyl-1,2-oxazole);4,5-ditert-butyl-1,3-oxazole;tetrakis(4,5-ditert-butyl-1H-pyrazole);bis(2,3-ditert-butyl-1H-pyrrole);3,4-ditert-butyl-1H-pyrrole;bis(4,5-ditert-butyl-2H-triazole);ethane is sourced from PubChem (CID 161156609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).