3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene

C87H153N3O2S2 — CID 158528773

IUPAC3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)Cc1ccoc1.CC(C)(C)Cc1ccsc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccncc1
InChIInChI=1S/C10H14.3C9H13N.C9H14O.C9H14S.C8H12O.C8H12S.8C2H6/c1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;2*1-9(2,3)6-8-4-5-10-7-8;2*1-7(2)6-8-4-3-5-9-8;8*1-2/h3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;2*4-5,7H,6H2,1-3H3;2*3-5,7H,6H2,1-2H3;8*1-2H3
InChIKeyHNCLWAGIMBGJCG-UHFFFAOYSA-N
MW1337.33 g/mol
LogP29.56
Rot. Bonds14

About 3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene

3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene (PubChem CID 158528773) has the molecular formula C87H153N3O2S2 and a molecular weight of 1337.33 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene
PubChem CID158528773
Molecular FormulaC87H153N3O2S2
Molecular Weight1337.33 g/mol
Exact Mass1336.14
IUPAC Name3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)Cc1ccoc1.CC(C)(C)Cc1ccsc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccncc1
InChIInChI=1S/C10H14.3C9H13N.C9H14O.C9H14S.C8H12O.C8H12S.8C2H6/c1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;2*1-9(2,3)6-8-4-5-10-7-8;2*1-7(2)6-8-4-3-5-9-8;8*1-2/h3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;2*4-5,7H,6H2,1-3H3;2*3-5,7H,6H2,1-2H3;8*1-2H3
InChIKeyHNCLWAGIMBGJCG-UHFFFAOYSA-N
XLogP29.56
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001337.33
LogP ≤ 529.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene with MolForge

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Related Compounds

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
4-(Furan-2-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-2-ylpyridine
CID 46224809
4-(Furan-2-yl)-2-thiophen-2-yl-6-thiophen-3-ylpyridine
CID 46224849
4-(Furan-2-yl)-2,6-di(thiophen-3-yl)pyridine
CID 46224851
4-(Furan-2-yl)-2,6-bis(3-methylthiophen-2-yl)pyridine
CID 46224888

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene?
The IUPAC name of 3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene (CID 158528773) is 3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene.
What is the SMILES notation for 3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene?
The canonical SMILES for 3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)Cc1ccoc1.CC(C)(C)Cc1ccsc1.CC(C)Cc1ccccc1.CC(C)Cc1ccccn1.CC(C)Cc1cccnc1.CC(C)Cc1ccco1.CC(C)Cc1cccs1.CC(C)Cc1ccncc1.
What is the InChIKey of 3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene?
The InChIKey is HNCLWAGIMBGJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.3C9H13N.C9H14O.C9H14S.C8H12O.C8H12S.8C2H6/c1-9(2)8-10-6-4-3-5-7-10;1-8(2)7-9-3-5-10-6-4-9;1-8(2)6-9-4-3-5-10-7-9;1-8(2)7-9-5-3-4-6-10-9;2*1-9(2,3)6-8-4-5-10-7-8;2*1-7(2)6-8-4-3-5-9-8;8*1-2/h3-7,9H,8H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;3-6,8H,7H2,1-2H3;2*4-5,7H,6H2,1-3H3;2*3-5,7H,6H2,1-2H3;8*1-2H3.
What are the key properties of 3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene?
3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene has a molecular weight of 1337.33 g/mol, XLogP of 29.56, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)furan;3-(2,2-dimethylpropyl)thiophene;ethane;2-methylpropylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;3-(2-methylpropyl)pyridine;4-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene is sourced from PubChem (CID 158528773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).