3-(2-methylpropyl)-2-propan-2-ylthiophene

C11H18S — CID 58885365

IUPAC3-(2-methylpropyl)-2-propan-2-ylthiophene
SMILESCC(C)Cc1ccsc1C(C)C
InChIInChI=1S/C11H18S/c1-8(2)7-10-5-6-12-11(10)9(3)4/h5-6,8-9H,7H2,1-4H3
InChIKeyKDGFWMZGKAWDDU-UHFFFAOYSA-N
MW182.33 g/mol
LogP4.07
Rot. Bonds3

About 3-(2-methylpropyl)-2-propan-2-ylthiophene

3-(2-methylpropyl)-2-propan-2-ylthiophene (PubChem CID 58885365) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is 3-(2-methylpropyl)-2-propan-2-ylthiophene.

Molecular Properties

Compound Name3-(2-methylpropyl)-2-propan-2-ylthiophene
PubChem CID58885365
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name3-(2-methylpropyl)-2-propan-2-ylthiophene
SMILESCC(C)Cc1ccsc1C(C)C
InChIInChI=1S/C11H18S/c1-8(2)7-10-5-6-12-11(10)9(3)4/h5-6,8-9H,7H2,1-4H3
InChIKeyKDGFWMZGKAWDDU-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-2-propan-2-ylthiophene?
The IUPAC name of 3-(2-methylpropyl)-2-propan-2-ylthiophene (CID 58885365) is 3-(2-methylpropyl)-2-propan-2-ylthiophene.
What is the SMILES notation for 3-(2-methylpropyl)-2-propan-2-ylthiophene?
The canonical SMILES for 3-(2-methylpropyl)-2-propan-2-ylthiophene is CC(C)Cc1ccsc1C(C)C.
What is the InChIKey of 3-(2-methylpropyl)-2-propan-2-ylthiophene?
The InChIKey is KDGFWMZGKAWDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S/c1-8(2)7-10-5-6-12-11(10)9(3)4/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 3-(2-methylpropyl)-2-propan-2-ylthiophene?
3-(2-methylpropyl)-2-propan-2-ylthiophene has a molecular weight of 182.33 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-2-propan-2-ylthiophene is sourced from PubChem (CID 58885365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).