2-[(2-methylpropan-2-yl)oxymethyl]thiophene

C9H14OS — CID 11788536

IUPAC2-[(2-methylpropan-2-yl)oxymethyl]thiophene
SMILESCC(C)(C)OCc1cccs1
InChIInChI=1S/C9H14OS/c1-9(2,3)10-7-8-5-4-6-11-8/h4-6H,7H2,1-3H3
InChIKeyLZXLJQIIEYTTMB-UHFFFAOYSA-N
MW170.28 g/mol
LogP3.06
Rot. Bonds2

About 2-[(2-methylpropan-2-yl)oxymethyl]thiophene

2-[(2-methylpropan-2-yl)oxymethyl]thiophene (PubChem CID 11788536) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxymethyl]thiophene.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxymethyl]thiophene
PubChem CID11788536
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name2-[(2-methylpropan-2-yl)oxymethyl]thiophene
SMILESCC(C)(C)OCc1cccs1
InChIInChI=1S/C9H14OS/c1-9(2,3)10-7-8-5-4-6-11-8/h4-6H,7H2,1-3H3
InChIKeyLZXLJQIIEYTTMB-UHFFFAOYSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]thiophene?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxymethyl]thiophene (CID 11788536) is 2-[(2-methylpropan-2-yl)oxymethyl]thiophene.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxymethyl]thiophene?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxymethyl]thiophene is CC(C)(C)OCc1cccs1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxymethyl]thiophene?
The InChIKey is LZXLJQIIEYTTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-9(2,3)10-7-8-5-4-6-11-8/h4-6H,7H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxymethyl]thiophene?
2-[(2-methylpropan-2-yl)oxymethyl]thiophene has a molecular weight of 170.28 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxymethyl]thiophene is sourced from PubChem (CID 11788536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).