3-(4-methoxy-2,4-dimethylpentan-2-yl)thiophene

C12H20OS — CID 149389387

IUPAC3-(4-methoxy-2,4-dimethylpentan-2-yl)thiophene
SMILESCOC(C)(C)CC(C)(C)c1ccsc1
InChIInChI=1S/C12H20OS/c1-11(2,9-12(3,4)13-5)10-6-7-14-8-10/h6-8H,9H2,1-5H3
InChIKeyYNFMNTVBUZUAFY-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.84
Rot. Bonds4

About 3-(4-methoxy-2,4-dimethylpentan-2-yl)thiophene

3-(4-methoxy-2,4-dimethylpentan-2-yl)thiophene (PubChem CID 149389387) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 3-(4-methoxy-2,4-dimethylpentan-2-yl)thiophene.

Molecular Properties

Compound Name3-(4-methoxy-2,4-dimethylpentan-2-yl)thiophene
PubChem CID149389387
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name3-(4-methoxy-2,4-dimethylpentan-2-yl)thiophene
SMILESCOC(C)(C)CC(C)(C)c1ccsc1
InChIInChI=1S/C12H20OS/c1-11(2,9-12(3,4)13-5)10-6-7-14-8-10/h6-8H,9H2,1-5H3
InChIKeyYNFMNTVBUZUAFY-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,4-dimethylpentan-2-yl)thiophene?
The IUPAC name of 3-(4-methoxy-2,4-dimethylpentan-2-yl)thiophene (CID 149389387) is 3-(4-methoxy-2,4-dimethylpentan-2-yl)thiophene.
What is the SMILES notation for 3-(4-methoxy-2,4-dimethylpentan-2-yl)thiophene?
The canonical SMILES for 3-(4-methoxy-2,4-dimethylpentan-2-yl)thiophene is COC(C)(C)CC(C)(C)c1ccsc1.
What is the InChIKey of 3-(4-methoxy-2,4-dimethylpentan-2-yl)thiophene?
The InChIKey is YNFMNTVBUZUAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-11(2,9-12(3,4)13-5)10-6-7-14-8-10/h6-8H,9H2,1-5H3.
What are the key properties of 3-(4-methoxy-2,4-dimethylpentan-2-yl)thiophene?
3-(4-methoxy-2,4-dimethylpentan-2-yl)thiophene has a molecular weight of 212.36 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2,4-dimethylpentan-2-yl)thiophene is sourced from PubChem (CID 149389387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).