4-methyl-2,3-di(propan-2-yl)-2,5-dihydrothiophene

C11H20S — CID 171581150

IUPAC4-methyl-2,3-di(propan-2-yl)-2,5-dihydrothiophene
SMILESCC1=C(C(C)C)C(C(C)C)SC1
InChIInChI=1S/C11H20S/c1-7(2)10-9(5)6-12-11(10)8(3)4/h7-8,11H,6H2,1-5H3
InChIKeyJZZUJCPGKMVHRN-UHFFFAOYSA-N
MW184.35 g/mol
LogP3.73
Rot. Bonds2

About 4-methyl-2,3-di(propan-2-yl)-2,5-dihydrothiophene

4-methyl-2,3-di(propan-2-yl)-2,5-dihydrothiophene (PubChem CID 171581150) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 4-methyl-2,3-di(propan-2-yl)-2,5-dihydrothiophene.

Molecular Properties

Compound Name4-methyl-2,3-di(propan-2-yl)-2,5-dihydrothiophene
PubChem CID171581150
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name4-methyl-2,3-di(propan-2-yl)-2,5-dihydrothiophene
SMILESCC1=C(C(C)C)C(C(C)C)SC1
InChIInChI=1S/C11H20S/c1-7(2)10-9(5)6-12-11(10)8(3)4/h7-8,11H,6H2,1-5H3
InChIKeyJZZUJCPGKMVHRN-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-di(propan-2-yl)-2,5-dihydrothiophene?
The IUPAC name of 4-methyl-2,3-di(propan-2-yl)-2,5-dihydrothiophene (CID 171581150) is 4-methyl-2,3-di(propan-2-yl)-2,5-dihydrothiophene.
What is the SMILES notation for 4-methyl-2,3-di(propan-2-yl)-2,5-dihydrothiophene?
The canonical SMILES for 4-methyl-2,3-di(propan-2-yl)-2,5-dihydrothiophene is CC1=C(C(C)C)C(C(C)C)SC1.
What is the InChIKey of 4-methyl-2,3-di(propan-2-yl)-2,5-dihydrothiophene?
The InChIKey is JZZUJCPGKMVHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-7(2)10-9(5)6-12-11(10)8(3)4/h7-8,11H,6H2,1-5H3.
What are the key properties of 4-methyl-2,3-di(propan-2-yl)-2,5-dihydrothiophene?
4-methyl-2,3-di(propan-2-yl)-2,5-dihydrothiophene has a molecular weight of 184.35 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-di(propan-2-yl)-2,5-dihydrothiophene is sourced from PubChem (CID 171581150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).