1,1-dimethyl-5-(2,3,3,4-tetramethylpentan-2-yl)-2,3-dihydrothiophene

C15H30S — CID 129253845

IUPAC1,1-dimethyl-5-(2,3,3,4-tetramethylpentan-2-yl)-2,3-dihydrothiophene
SMILESCC(C)C(C)(C)C(C)(C)C1=CCCS1(C)C
InChIInChI=1S/C15H30S/c1-12(2)14(3,4)15(5,6)13-10-9-11-16(13,7)8/h10,12H,9,11H2,1-8H3
InChIKeyLBNCXRFXOUWAIB-UHFFFAOYSA-N
MW242.47 g/mol
LogP5.05
Rot. Bonds3

About 1,1-dimethyl-5-(2,3,3,4-tetramethylpentan-2-yl)-2,3-dihydrothiophene

1,1-dimethyl-5-(2,3,3,4-tetramethylpentan-2-yl)-2,3-dihydrothiophene (PubChem CID 129253845) has the molecular formula C15H30S and a molecular weight of 242.47 g/mol. Its IUPAC name is 1,1-dimethyl-5-(2,3,3,4-tetramethylpentan-2-yl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name1,1-dimethyl-5-(2,3,3,4-tetramethylpentan-2-yl)-2,3-dihydrothiophene
PubChem CID129253845
Molecular FormulaC15H30S
Molecular Weight242.47 g/mol
Exact Mass242.21
IUPAC Name1,1-dimethyl-5-(2,3,3,4-tetramethylpentan-2-yl)-2,3-dihydrothiophene
SMILESCC(C)C(C)(C)C(C)(C)C1=CCCS1(C)C
InChIInChI=1S/C15H30S/c1-12(2)14(3,4)15(5,6)13-10-9-11-16(13,7)8/h10,12H,9,11H2,1-8H3
InChIKeyLBNCXRFXOUWAIB-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.47
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-5-(2,3,3,4-tetramethylpentan-2-yl)-2,3-dihydrothiophene?
The IUPAC name of 1,1-dimethyl-5-(2,3,3,4-tetramethylpentan-2-yl)-2,3-dihydrothiophene (CID 129253845) is 1,1-dimethyl-5-(2,3,3,4-tetramethylpentan-2-yl)-2,3-dihydrothiophene.
What is the SMILES notation for 1,1-dimethyl-5-(2,3,3,4-tetramethylpentan-2-yl)-2,3-dihydrothiophene?
The canonical SMILES for 1,1-dimethyl-5-(2,3,3,4-tetramethylpentan-2-yl)-2,3-dihydrothiophene is CC(C)C(C)(C)C(C)(C)C1=CCCS1(C)C.
What is the InChIKey of 1,1-dimethyl-5-(2,3,3,4-tetramethylpentan-2-yl)-2,3-dihydrothiophene?
The InChIKey is LBNCXRFXOUWAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30S/c1-12(2)14(3,4)15(5,6)13-10-9-11-16(13,7)8/h10,12H,9,11H2,1-8H3.
What are the key properties of 1,1-dimethyl-5-(2,3,3,4-tetramethylpentan-2-yl)-2,3-dihydrothiophene?
1,1-dimethyl-5-(2,3,3,4-tetramethylpentan-2-yl)-2,3-dihydrothiophene has a molecular weight of 242.47 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-5-(2,3,3,4-tetramethylpentan-2-yl)-2,3-dihydrothiophene is sourced from PubChem (CID 129253845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).