2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene

C52H82N2O3S3 — CID 158150487

IUPAC2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene
SMILESCC(C)(C)Cc1ccco1.CC(C)(C)Cc1cccs1.CC(C)(C)Cc1ccoc1.CC(C)(C)Cc1ccsc1.CC(C)(C)Cc1ncco1.CC(C)(C)Cc1nccs1
InChIInChI=1S/2C9H14O.2C9H14S.C8H13NO.C8H13NS/c1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;2*1-8(2,3)6-7-9-4-5-10-7/h4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;2*4-5H,6H2,1-3H3
InChIKeyFVAUZUMMNZGAGF-UHFFFAOYSA-N
MW879.44 g/mol
LogP17.40
Rot. Bonds6

About 2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene

2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene (PubChem CID 158150487) has the molecular formula C52H82N2O3S3 and a molecular weight of 879.44 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene
PubChem CID158150487
Molecular FormulaC52H82N2O3S3
Molecular Weight879.44 g/mol
Exact Mass878.55
IUPAC Name2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene
SMILESCC(C)(C)Cc1ccco1.CC(C)(C)Cc1cccs1.CC(C)(C)Cc1ccoc1.CC(C)(C)Cc1ccsc1.CC(C)(C)Cc1ncco1.CC(C)(C)Cc1nccs1
InChIInChI=1S/2C9H14O.2C9H14S.C8H13NO.C8H13NS/c1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;2*1-8(2,3)6-7-9-4-5-10-7/h4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;2*4-5H,6H2,1-3H3
InChIKeyFVAUZUMMNZGAGF-UHFFFAOYSA-N
XLogP17.40
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.44
LogP ≤ 517.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene?
The IUPAC name of 2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene (CID 158150487) is 2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene.
What is the SMILES notation for 2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene?
The canonical SMILES for 2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene is CC(C)(C)Cc1ccco1.CC(C)(C)Cc1cccs1.CC(C)(C)Cc1ccoc1.CC(C)(C)Cc1ccsc1.CC(C)(C)Cc1ncco1.CC(C)(C)Cc1nccs1.
What is the InChIKey of 2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene?
The InChIKey is FVAUZUMMNZGAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H14O.2C9H14S.C8H13NO.C8H13NS/c1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;1-9(2,3)6-8-4-5-10-7-8;1-9(2,3)7-8-5-4-6-10-8;2*1-8(2,3)6-7-9-4-5-10-7/h4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;2*4-5H,6H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene?
2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene has a molecular weight of 879.44 g/mol, XLogP of 17.40, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene is sourced from PubChem (CID 158150487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).