2,3,4-trimethyl-5-(2-methylcyclopropyl)thiophene

C11H16S — CID 118459491

IUPAC2,3,4-trimethyl-5-(2-methylcyclopropyl)thiophene
SMILESCc1sc(C2CC2C)c(C)c1C
InChIInChI=1S/C11H16S/c1-6-5-10(6)11-8(3)7(2)9(4)12-11/h6,10H,5H2,1-4H3
InChIKeyOBCHKMHPFOMHHX-UHFFFAOYSA-N
MW180.32 g/mol
LogP3.80
Rot. Bonds1

About 2,3,4-trimethyl-5-(2-methylcyclopropyl)thiophene

2,3,4-trimethyl-5-(2-methylcyclopropyl)thiophene (PubChem CID 118459491) has the molecular formula C11H16S and a molecular weight of 180.32 g/mol. Its IUPAC name is 2,3,4-trimethyl-5-(2-methylcyclopropyl)thiophene.

Molecular Properties

Compound Name2,3,4-trimethyl-5-(2-methylcyclopropyl)thiophene
PubChem CID118459491
Molecular FormulaC11H16S
Molecular Weight180.32 g/mol
Exact Mass180.10
IUPAC Name2,3,4-trimethyl-5-(2-methylcyclopropyl)thiophene
SMILESCc1sc(C2CC2C)c(C)c1C
InChIInChI=1S/C11H16S/c1-6-5-10(6)11-8(3)7(2)9(4)12-11/h6,10H,5H2,1-4H3
InChIKeyOBCHKMHPFOMHHX-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-5-(2-methylcyclopropyl)thiophene?
The IUPAC name of 2,3,4-trimethyl-5-(2-methylcyclopropyl)thiophene (CID 118459491) is 2,3,4-trimethyl-5-(2-methylcyclopropyl)thiophene.
What is the SMILES notation for 2,3,4-trimethyl-5-(2-methylcyclopropyl)thiophene?
The canonical SMILES for 2,3,4-trimethyl-5-(2-methylcyclopropyl)thiophene is Cc1sc(C2CC2C)c(C)c1C.
What is the InChIKey of 2,3,4-trimethyl-5-(2-methylcyclopropyl)thiophene?
The InChIKey is OBCHKMHPFOMHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16S/c1-6-5-10(6)11-8(3)7(2)9(4)12-11/h6,10H,5H2,1-4H3.
What are the key properties of 2,3,4-trimethyl-5-(2-methylcyclopropyl)thiophene?
2,3,4-trimethyl-5-(2-methylcyclopropyl)thiophene has a molecular weight of 180.32 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-5-(2-methylcyclopropyl)thiophene is sourced from PubChem (CID 118459491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).