2-tert-butyl-5-(furan-3-yl)furan;2-tert-butyl-5-thiophen-2-ylfuran;2-tert-butyl-5-thiophen-3-ylfuran;dimethoxymethane;ethane

C41H56O6S2 — CID 158390857

IUPAC2-tert-butyl-5-(furan-3-yl)furan;2-tert-butyl-5-thiophen-2-ylfuran;2-tert-butyl-5-thiophen-3-ylfuran;dimethoxymethane;ethane
SMILESCC.CC(C)(C)c1ccc(-c2cccs2)o1.CC(C)(C)c1ccc(-c2ccoc2)o1.CC(C)(C)c1ccc(-c2ccsc2)o1.COCOC
InChIInChI=1S/C12H14O2.2C12H14OS.C3H8O2.C2H6/c1-12(2,3)11-5-4-10(14-11)9-6-7-13-8-9;1-12(2,3)11-5-4-10(13-11)9-6-7-14-8-9;1-12(2,3)11-7-6-9(13-11)10-5-4-8-14-10;1-4-3-5-2;1-2/h3*4-8H,1-3H3;3H2,1-2H3;1-2H3
InChIKeyGWYFWHWUUAYVGM-UHFFFAOYSA-N
MW709.03 g/mol
LogP13.71
Rot. Bonds5

About 2-tert-butyl-5-(furan-3-yl)furan;2-tert-butyl-5-thiophen-2-ylfuran;2-tert-butyl-5-thiophen-3-ylfuran;dimethoxymethane;ethane

2-tert-butyl-5-(furan-3-yl)furan;2-tert-butyl-5-thiophen-2-ylfuran;2-tert-butyl-5-thiophen-3-ylfuran;dimethoxymethane;ethane (PubChem CID 158390857) has the molecular formula C41H56O6S2 and a molecular weight of 709.03 g/mol. Its IUPAC name is 2-tert-butyl-5-(furan-3-yl)furan;2-tert-butyl-5-thiophen-2-ylfuran;2-tert-butyl-5-thiophen-3-ylfuran;dimethoxymethane;ethane.

Molecular Properties

Compound Name2-tert-butyl-5-(furan-3-yl)furan;2-tert-butyl-5-thiophen-2-ylfuran;2-tert-butyl-5-thiophen-3-ylfuran;dimethoxymethane;ethane
PubChem CID158390857
Molecular FormulaC41H56O6S2
Molecular Weight709.03 g/mol
Exact Mass708.35
IUPAC Name2-tert-butyl-5-(furan-3-yl)furan;2-tert-butyl-5-thiophen-2-ylfuran;2-tert-butyl-5-thiophen-3-ylfuran;dimethoxymethane;ethane
SMILESCC.CC(C)(C)c1ccc(-c2cccs2)o1.CC(C)(C)c1ccc(-c2ccoc2)o1.CC(C)(C)c1ccc(-c2ccsc2)o1.COCOC
InChIInChI=1S/C12H14O2.2C12H14OS.C3H8O2.C2H6/c1-12(2,3)11-5-4-10(14-11)9-6-7-13-8-9;1-12(2,3)11-5-4-10(13-11)9-6-7-14-8-9;1-12(2,3)11-7-6-9(13-11)10-5-4-8-14-10;1-4-3-5-2;1-2/h3*4-8H,1-3H3;3H2,1-2H3;1-2H3
InChIKeyGWYFWHWUUAYVGM-UHFFFAOYSA-N
XLogP13.71
TPSA71.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.03
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-5-(furan-3-yl)furan;2-tert-butyl-5-thiophen-2-ylfuran;2-tert-butyl-5-thiophen-3-ylfuran;dimethoxymethane;ethane with MolForge

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Related Compounds

2-thiophen-2-yl-5-(5-thiophen-2-ylfuran-2-yl)furan
CID 102347671
4-(furan-3-yl)-3-thiophen-2-yl-2-thiophen-3-yl-1H-pyrrole
CID 174836952
1-methyl-4-thiophen-2-yl-3-thiophen-3-ylpyrazol-5-amine
CID 62501208
4-(furan-3-yl)-2,6-dithiophen-2-ylpyridine
CID 46224813
2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470
2-(5-bromothiophen-2-yl)-5-thiophen-2-ylfuran
CID 10781309
(5-thiophen-3-ylfuran-2-yl)methanol
CID 19744465
2-thiophen-2-yl-7-thiophen-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66498261
5-(5-thiophen-2-ylfuran-2-yl)thiophene-2-carbaldehyde
CID 817927
carbon dioxide;2-methyl-5-thiophen-3-ylfuran
CID 158341823
2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene;3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene
CID 157493186
2-(furan-3-yl)-4-methyl-5-propoxybenzo[f]quinolin-1-one;2-(furan-3-yl)-5-propoxy-4H-benzo[f]quinolin-1-one;2-(4-methoxyphenyl)-5-propoxy-4H-benzo[f]quinolin-1-one;4-methyl-5-propoxy-2-thiophen-2-ylbenzo[f]quinolin-1-one;5-propoxy-2-thiophen-2-yl-4H-benzo[f]quinolin-1-one;5-propoxy-2-thiophen-3-yl-4H-benzo[f]quinolin-1-one
CID 158434305

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(furan-3-yl)furan;2-tert-butyl-5-thiophen-2-ylfuran;2-tert-butyl-5-thiophen-3-ylfuran;dimethoxymethane;ethane?
The IUPAC name of 2-tert-butyl-5-(furan-3-yl)furan;2-tert-butyl-5-thiophen-2-ylfuran;2-tert-butyl-5-thiophen-3-ylfuran;dimethoxymethane;ethane (CID 158390857) is 2-tert-butyl-5-(furan-3-yl)furan;2-tert-butyl-5-thiophen-2-ylfuran;2-tert-butyl-5-thiophen-3-ylfuran;dimethoxymethane;ethane.
What is the SMILES notation for 2-tert-butyl-5-(furan-3-yl)furan;2-tert-butyl-5-thiophen-2-ylfuran;2-tert-butyl-5-thiophen-3-ylfuran;dimethoxymethane;ethane?
The canonical SMILES for 2-tert-butyl-5-(furan-3-yl)furan;2-tert-butyl-5-thiophen-2-ylfuran;2-tert-butyl-5-thiophen-3-ylfuran;dimethoxymethane;ethane is CC.CC(C)(C)c1ccc(-c2cccs2)o1.CC(C)(C)c1ccc(-c2ccoc2)o1.CC(C)(C)c1ccc(-c2ccsc2)o1.COCOC.
What is the InChIKey of 2-tert-butyl-5-(furan-3-yl)furan;2-tert-butyl-5-thiophen-2-ylfuran;2-tert-butyl-5-thiophen-3-ylfuran;dimethoxymethane;ethane?
The InChIKey is GWYFWHWUUAYVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2.2C12H14OS.C3H8O2.C2H6/c1-12(2,3)11-5-4-10(14-11)9-6-7-13-8-9;1-12(2,3)11-5-4-10(13-11)9-6-7-14-8-9;1-12(2,3)11-7-6-9(13-11)10-5-4-8-14-10;1-4-3-5-2;1-2/h3*4-8H,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of 2-tert-butyl-5-(furan-3-yl)furan;2-tert-butyl-5-thiophen-2-ylfuran;2-tert-butyl-5-thiophen-3-ylfuran;dimethoxymethane;ethane?
2-tert-butyl-5-(furan-3-yl)furan;2-tert-butyl-5-thiophen-2-ylfuran;2-tert-butyl-5-thiophen-3-ylfuran;dimethoxymethane;ethane has a molecular weight of 709.03 g/mol, XLogP of 13.71, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(furan-3-yl)furan;2-tert-butyl-5-thiophen-2-ylfuran;2-tert-butyl-5-thiophen-3-ylfuran;dimethoxymethane;ethane is sourced from PubChem (CID 158390857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).