2-(3-methylbutyl)-4-(2-methyl-4-thiophen-2-ylbutyl)furan

C18H26OS — CID 154991473

IUPAC2-(3-methylbutyl)-4-(2-methyl-4-thiophen-2-ylbutyl)furan
SMILESCC(C)CCc1cc(CC(C)CCc2cccs2)co1
InChIInChI=1S/C18H26OS/c1-14(2)6-8-17-12-16(13-19-17)11-15(3)7-9-18-5-4-10-20-18/h4-5,10,12-15H,6-9,11H2,1-3H3
InChIKeyOFYYMMGNIXSKQK-UHFFFAOYSA-N
MW290.47 g/mol
LogP5.74
Rot. Bonds8

About 2-(3-methylbutyl)-4-(2-methyl-4-thiophen-2-ylbutyl)furan

2-(3-methylbutyl)-4-(2-methyl-4-thiophen-2-ylbutyl)furan (PubChem CID 154991473) has the molecular formula C18H26OS and a molecular weight of 290.47 g/mol. Its IUPAC name is 2-(3-methylbutyl)-4-(2-methyl-4-thiophen-2-ylbutyl)furan.

Molecular Properties

Compound Name2-(3-methylbutyl)-4-(2-methyl-4-thiophen-2-ylbutyl)furan
PubChem CID154991473
Molecular FormulaC18H26OS
Molecular Weight290.47 g/mol
Exact Mass290.17
IUPAC Name2-(3-methylbutyl)-4-(2-methyl-4-thiophen-2-ylbutyl)furan
SMILESCC(C)CCc1cc(CC(C)CCc2cccs2)co1
InChIInChI=1S/C18H26OS/c1-14(2)6-8-17-12-16(13-19-17)11-15(3)7-9-18-5-4-10-20-18/h4-5,10,12-15H,6-9,11H2,1-3H3
InChIKeyOFYYMMGNIXSKQK-UHFFFAOYSA-N
XLogP5.74
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.47
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-5-thiophen-2-ylpentan-1-amine
CID 65300701
N-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79485851
N,4-dimethyl-6-thiophen-2-ylhexan-2-amine
CID 64720964
4-methyl-6-thiophen-2-ylhexan-2-one
CID 64719614
(2S)-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 42077642
3-methyl-N-(2-methylpropyl)-4-thiophen-2-ylbutan-1-amine
CID 81015336
N-methyl-1-[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methanamine
CID 62422100
5-methyl-1-thiophen-2-ylheptan-3-ol
CID 115800369
N-[[5-(2-thiophen-2-ylethoxymethyl)furan-3-yl]methyl]ethanamine
CID 62486002
5,5-dimethyl-1-thiophen-2-ylhexane-3,4-diol
CID 103457143
3-methyl-N-propan-2-yl-4-thiophen-2-ylbutan-1-amine
CID 81018951
1-(2-methylphenyl)-4-thiophen-2-ylbutan-2-amine
CID 63774241

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-4-(2-methyl-4-thiophen-2-ylbutyl)furan?
The IUPAC name of 2-(3-methylbutyl)-4-(2-methyl-4-thiophen-2-ylbutyl)furan (CID 154991473) is 2-(3-methylbutyl)-4-(2-methyl-4-thiophen-2-ylbutyl)furan.
What is the SMILES notation for 2-(3-methylbutyl)-4-(2-methyl-4-thiophen-2-ylbutyl)furan?
The canonical SMILES for 2-(3-methylbutyl)-4-(2-methyl-4-thiophen-2-ylbutyl)furan is CC(C)CCc1cc(CC(C)CCc2cccs2)co1.
What is the InChIKey of 2-(3-methylbutyl)-4-(2-methyl-4-thiophen-2-ylbutyl)furan?
The InChIKey is OFYYMMGNIXSKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26OS/c1-14(2)6-8-17-12-16(13-19-17)11-15(3)7-9-18-5-4-10-20-18/h4-5,10,12-15H,6-9,11H2,1-3H3.
What are the key properties of 2-(3-methylbutyl)-4-(2-methyl-4-thiophen-2-ylbutyl)furan?
2-(3-methylbutyl)-4-(2-methyl-4-thiophen-2-ylbutyl)furan has a molecular weight of 290.47 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-4-(2-methyl-4-thiophen-2-ylbutyl)furan is sourced from PubChem (CID 154991473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).