1-[(E)-3-methylbut-1-enyl]-2-(2-methylpropyl)benzene;3-(3-methylbutyl)-2-(2-methylpropyl)furan;2-(3-methylbutyl)-3-(2-methylpropyl)pyridine;3-(3-methylbutyl)-2-(2-methylpropyl)thiophene;2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene;3-(4-methylpentyl)-4-propan-2-ylfuran

C81H135NO2S2 — CID 157358136

IUPAC1-[(E)-3-methylbut-1-enyl]-2-(2-methylpropyl)benzene;3-(3-methylbutyl)-2-(2-methylpropyl)furan;2-(3-methylbutyl)-3-(2-methylpropyl)pyridine;3-(3-methylbutyl)-2-(2-methylpropyl)thiophene;2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene;3-(4-methylpentyl)-4-propan-2-ylfuran
SMILESCC(C)/C=C/c1ccccc1CC(C)C.CC(C)CCCC1SC=CC1C(C)C.CC(C)CCCc1cocc1C(C)C.CC(C)CCc1ccoc1CC(C)C.CC(C)CCc1ccsc1CC(C)C.CC(C)CCc1ncccc1CC(C)C
InChIInChI=1S/C15H22.C14H23N.2C13H22O.C13H22S.C13H24S/c1-12(2)9-10-14-7-5-6-8-15(14)11-13(3)4;1-11(2)7-8-14-13(10-12(3)4)6-5-9-15-14;1-10(2)5-6-12-7-8-14-13(12)9-11(3)4;1-10(2)6-5-7-12-8-14-9-13(12)11(3)4;1-10(2)5-6-12-7-8-14-13(12)9-11(3)4;1-10(2)6-5-7-13-12(11(3)4)8-9-14-13/h5-10,12-13H,11H2,1-4H3;5-6,9,11-12H,7-8,10H2,1-4H3;7-8,10-11H,5-6,9H2,1-4H3;8-11H,5-7H2,1-4H3;7-8,10-11H,5-6,9H2,1-4H3;8-13H,5-7H2,1-4H3/b10-9+;;;;;
InChIKeyBIICVNKRHSBYSZ-DYBGSUCNSA-N
MW1219.11 g/mol
LogP26.12
Rot. Bonds29

About 1-[(E)-3-methylbut-1-enyl]-2-(2-methylpropyl)benzene;3-(3-methylbutyl)-2-(2-methylpropyl)furan;2-(3-methylbutyl)-3-(2-methylpropyl)pyridine;3-(3-methylbutyl)-2-(2-methylpropyl)thiophene;2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene;3-(4-methylpentyl)-4-propan-2-ylfuran

1-[(E)-3-methylbut-1-enyl]-2-(2-methylpropyl)benzene;3-(3-methylbutyl)-2-(2-methylpropyl)furan;2-(3-methylbutyl)-3-(2-methylpropyl)pyridine;3-(3-methylbutyl)-2-(2-methylpropyl)thiophene;2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene;3-(4-methylpentyl)-4-propan-2-ylfuran (PubChem CID 157358136) has the molecular formula C81H135NO2S2 and a molecular weight of 1219.11 g/mol. Its IUPAC name is 1-[(E)-3-methylbut-1-enyl]-2-(2-methylpropyl)benzene;3-(3-methylbutyl)-2-(2-methylpropyl)furan;2-(3-methylbutyl)-3-(2-methylpropyl)pyridine;3-(3-methylbutyl)-2-(2-methylpropyl)thiophene;2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene;3-(4-methylpentyl)-4-propan-2-ylfuran.

Molecular Properties

Compound Name1-[(E)-3-methylbut-1-enyl]-2-(2-methylpropyl)benzene;3-(3-methylbutyl)-2-(2-methylpropyl)furan;2-(3-methylbutyl)-3-(2-methylpropyl)pyridine;3-(3-methylbutyl)-2-(2-methylpropyl)thiophene;2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene;3-(4-methylpentyl)-4-propan-2-ylfuran
PubChem CID157358136
Molecular FormulaC81H135NO2S2
Molecular Weight1219.11 g/mol
Exact Mass1217.99
IUPAC Name1-[(E)-3-methylbut-1-enyl]-2-(2-methylpropyl)benzene;3-(3-methylbutyl)-2-(2-methylpropyl)furan;2-(3-methylbutyl)-3-(2-methylpropyl)pyridine;3-(3-methylbutyl)-2-(2-methylpropyl)thiophene;2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene;3-(4-methylpentyl)-4-propan-2-ylfuran
SMILESCC(C)/C=C/c1ccccc1CC(C)C.CC(C)CCCC1SC=CC1C(C)C.CC(C)CCCc1cocc1C(C)C.CC(C)CCc1ccoc1CC(C)C.CC(C)CCc1ccsc1CC(C)C.CC(C)CCc1ncccc1CC(C)C
InChIInChI=1S/C15H22.C14H23N.2C13H22O.C13H22S.C13H24S/c1-12(2)9-10-14-7-5-6-8-15(14)11-13(3)4;1-11(2)7-8-14-13(10-12(3)4)6-5-9-15-14;1-10(2)5-6-12-7-8-14-13(12)9-11(3)4;1-10(2)6-5-7-12-8-14-9-13(12)11(3)4;1-10(2)5-6-12-7-8-14-13(12)9-11(3)4;1-10(2)6-5-7-13-12(11(3)4)8-9-14-13/h5-10,12-13H,11H2,1-4H3;5-6,9,11-12H,7-8,10H2,1-4H3;7-8,10-11H,5-6,9H2,1-4H3;8-11H,5-7H2,1-4H3;7-8,10-11H,5-6,9H2,1-4H3;8-13H,5-7H2,1-4H3/b10-9+;;;;;
InChIKeyBIICVNKRHSBYSZ-DYBGSUCNSA-N
XLogP26.12
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds29
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001219.11
LogP ≤ 526.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(E)-3-methylbut-1-enyl]-2-(2-methylpropyl)benzene;3-(3-methylbutyl)-2-(2-methylpropyl)furan;2-(3-methylbutyl)-3-(2-methylpropyl)pyridine;3-(3-methylbutyl)-2-(2-methylpropyl)thiophene;2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene;3-(4-methylpentyl)-4-propan-2-ylfuran with MolForge

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Related Compounds

4-(Furan-3-yl)-2,6-dithiophen-2-ylpyridine
CID 46224813
5-(5-((2-(benzofuran-4-yl)ethylamino)methyl)pyridin-2-yl)-N-hydroxythiophene-2-carboxamide
CID 44418212
2-(Furan-2-yl)-4-(furan-3-yl)-6-(3-methylthiophen-2-yl)pyridine
CID 46229578
4-(furan-2-yl)-2-thiophen-2-yl-5H-indeno[1,2-b]pyridine
CID 101884635
4-Furan-2-yl-2-((E)-2-furan-2-yl-vinyl)-6-thiophen-2-yl-pyridine
CID 10064551
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-2-ylpyridine
CID 44423803
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-3-ylpyridine
CID 44423806
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-2-ylpyridine
CID 44423810
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423829
4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
4-(Furan-2-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-3-ylpyridine
CID 16654946

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-methylbut-1-enyl]-2-(2-methylpropyl)benzene;3-(3-methylbutyl)-2-(2-methylpropyl)furan;2-(3-methylbutyl)-3-(2-methylpropyl)pyridine;3-(3-methylbutyl)-2-(2-methylpropyl)thiophene;2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene;3-(4-methylpentyl)-4-propan-2-ylfuran?
The IUPAC name of 1-[(E)-3-methylbut-1-enyl]-2-(2-methylpropyl)benzene;3-(3-methylbutyl)-2-(2-methylpropyl)furan;2-(3-methylbutyl)-3-(2-methylpropyl)pyridine;3-(3-methylbutyl)-2-(2-methylpropyl)thiophene;2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene;3-(4-methylpentyl)-4-propan-2-ylfuran (CID 157358136) is 1-[(E)-3-methylbut-1-enyl]-2-(2-methylpropyl)benzene;3-(3-methylbutyl)-2-(2-methylpropyl)furan;2-(3-methylbutyl)-3-(2-methylpropyl)pyridine;3-(3-methylbutyl)-2-(2-methylpropyl)thiophene;2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene;3-(4-methylpentyl)-4-propan-2-ylfuran.
What is the SMILES notation for 1-[(E)-3-methylbut-1-enyl]-2-(2-methylpropyl)benzene;3-(3-methylbutyl)-2-(2-methylpropyl)furan;2-(3-methylbutyl)-3-(2-methylpropyl)pyridine;3-(3-methylbutyl)-2-(2-methylpropyl)thiophene;2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene;3-(4-methylpentyl)-4-propan-2-ylfuran?
The canonical SMILES for 1-[(E)-3-methylbut-1-enyl]-2-(2-methylpropyl)benzene;3-(3-methylbutyl)-2-(2-methylpropyl)furan;2-(3-methylbutyl)-3-(2-methylpropyl)pyridine;3-(3-methylbutyl)-2-(2-methylpropyl)thiophene;2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene;3-(4-methylpentyl)-4-propan-2-ylfuran is CC(C)/C=C/c1ccccc1CC(C)C.CC(C)CCCC1SC=CC1C(C)C.CC(C)CCCc1cocc1C(C)C.CC(C)CCc1ccoc1CC(C)C.CC(C)CCc1ccsc1CC(C)C.CC(C)CCc1ncccc1CC(C)C.
What is the InChIKey of 1-[(E)-3-methylbut-1-enyl]-2-(2-methylpropyl)benzene;3-(3-methylbutyl)-2-(2-methylpropyl)furan;2-(3-methylbutyl)-3-(2-methylpropyl)pyridine;3-(3-methylbutyl)-2-(2-methylpropyl)thiophene;2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene;3-(4-methylpentyl)-4-propan-2-ylfuran?
The InChIKey is BIICVNKRHSBYSZ-DYBGSUCNSA-N. The full InChI is InChI=1S/C15H22.C14H23N.2C13H22O.C13H22S.C13H24S/c1-12(2)9-10-14-7-5-6-8-15(14)11-13(3)4;1-11(2)7-8-14-13(10-12(3)4)6-5-9-15-14;1-10(2)5-6-12-7-8-14-13(12)9-11(3)4;1-10(2)6-5-7-12-8-14-9-13(12)11(3)4;1-10(2)5-6-12-7-8-14-13(12)9-11(3)4;1-10(2)6-5-7-13-12(11(3)4)8-9-14-13/h5-10,12-13H,11H2,1-4H3;5-6,9,11-12H,7-8,10H2,1-4H3;7-8,10-11H,5-6,9H2,1-4H3;8-11H,5-7H2,1-4H3;7-8,10-11H,5-6,9H2,1-4H3;8-13H,5-7H2,1-4H3/b10-9+;;;;;.
What are the key properties of 1-[(E)-3-methylbut-1-enyl]-2-(2-methylpropyl)benzene;3-(3-methylbutyl)-2-(2-methylpropyl)furan;2-(3-methylbutyl)-3-(2-methylpropyl)pyridine;3-(3-methylbutyl)-2-(2-methylpropyl)thiophene;2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene;3-(4-methylpentyl)-4-propan-2-ylfuran?
1-[(E)-3-methylbut-1-enyl]-2-(2-methylpropyl)benzene;3-(3-methylbutyl)-2-(2-methylpropyl)furan;2-(3-methylbutyl)-3-(2-methylpropyl)pyridine;3-(3-methylbutyl)-2-(2-methylpropyl)thiophene;2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene;3-(4-methylpentyl)-4-propan-2-ylfuran has a molecular weight of 1219.11 g/mol, XLogP of 26.12, 29 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-methylbut-1-enyl]-2-(2-methylpropyl)benzene;3-(3-methylbutyl)-2-(2-methylpropyl)furan;2-(3-methylbutyl)-3-(2-methylpropyl)pyridine;3-(3-methylbutyl)-2-(2-methylpropyl)thiophene;2-(4-methylpentyl)-3-propan-2-yl-2,3-dihydrothiophene;3-(4-methylpentyl)-4-propan-2-ylfuran is sourced from PubChem (CID 157358136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).