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;methane

C53H86N2O3S3 — CID 159877449

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;methane
SMILESC.CC(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.CH4/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;1H4
InChIKeyNTCAQHLCWFNZNO-UHFFFAOYSA-N
MW895.48 g/mol
LogP18.04
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;methane

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;methane (PubChem CID 159877449) has the molecular formula C53H86N2O3S3 and a molecular weight of 895.48 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;methane.

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;methane
PubChem CID159877449
Molecular FormulaC53H86N2O3S3
Molecular Weight895.48 g/mol
Exact Mass894.58
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;methane
SMILESC.CC(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.CH4/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;1H4
InChIKeyNTCAQHLCWFNZNO-UHFFFAOYSA-N
XLogP18.04
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.48
LogP ≤ 518.04
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;methane 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;methane?
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;methane (CID 159877449) 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;methane.
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;methane?
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;methane is C.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;methane?
The InChIKey is NTCAQHLCWFNZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H14O.2C9H14S.C8H13NO.C8H13NS.CH4/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;1H4.
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;methane?
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;methane has a molecular weight of 895.48 g/mol, XLogP of 18.04, 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;methane is sourced from PubChem (CID 159877449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).