2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene

C40H64O2S2 — CID 158687824

IUPAC2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene
SMILESCC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1coc(C(C)C)c1.CC(C)c1csc(C(C)C)c1
InChIInChI=1S/2C10H16O.2C10H16S/c1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4/h4*5-8H,1-4H3
InChIKeyIFYQLJLLAWZHCH-UHFFFAOYSA-N
MW641.08 g/mol
LogP15.04
Rot. Bonds8

About 2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene

2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene (PubChem CID 158687824) has the molecular formula C40H64O2S2 and a molecular weight of 641.08 g/mol. Its IUPAC name is 2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene.

Molecular Properties

Compound Name2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene
PubChem CID158687824
Molecular FormulaC40H64O2S2
Molecular Weight641.08 g/mol
Exact Mass640.43
IUPAC Name2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene
SMILESCC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1coc(C(C)C)c1.CC(C)c1csc(C(C)C)c1
InChIInChI=1S/2C10H16O.2C10H16S/c1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4/h4*5-8H,1-4H3
InChIKeyIFYQLJLLAWZHCH-UHFFFAOYSA-N
XLogP15.04
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.08
LogP ≤ 515.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene with MolForge

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Related Compounds

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CID 163233159
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2,5-di(propan-2-yl)thiophene
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4-propan-2-yl-2-(2,2,4-trimethylpentan-3-yl)furan
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2-propan-2-yl-5-(5-propan-2-ylfuran-2-yl)furan
CID 176857381
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Frequently Asked Questions

What is the IUPAC name of 2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene?
The IUPAC name of 2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene (CID 158687824) is 2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene.
What is the SMILES notation for 2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene?
The canonical SMILES for 2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene is CC(C)c1ccc(C(C)C)o1.CC(C)c1ccc(C(C)C)s1.CC(C)c1coc(C(C)C)c1.CC(C)c1csc(C(C)C)c1.
What is the InChIKey of 2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene?
The InChIKey is IFYQLJLLAWZHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H16O.2C10H16S/c1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4;1-7(2)9-5-10(8(3)4)11-6-9;1-7(2)9-5-6-10(11-9)8(3)4/h4*5-8H,1-4H3.
What are the key properties of 2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene?
2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene has a molecular weight of 641.08 g/mol, XLogP of 15.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene is sourced from PubChem (CID 158687824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).