2,3-di(propan-2-yl)-2,3-dihydrothiophene

C10H18S — CID 58469891

IUPAC2,3-di(propan-2-yl)-2,3-dihydrothiophene
SMILESCC(C)C1C=CSC1C(C)C
InChIInChI=1S/C10H18S/c1-7(2)9-5-6-11-10(9)8(3)4/h5-10H,1-4H3
InChIKeyZZZVDCVTMAULLG-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.54
Rot. Bonds2

About 2,3-di(propan-2-yl)-2,3-dihydrothiophene

2,3-di(propan-2-yl)-2,3-dihydrothiophene (PubChem CID 58469891) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-2,3-dihydrothiophene
PubChem CID58469891
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name2,3-di(propan-2-yl)-2,3-dihydrothiophene
SMILESCC(C)C1C=CSC1C(C)C
InChIInChI=1S/C10H18S/c1-7(2)9-5-6-11-10(9)8(3)4/h5-10H,1-4H3
InChIKeyZZZVDCVTMAULLG-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)-2,3-dihydrothiophene?
The IUPAC name of 2,3-di(propan-2-yl)-2,3-dihydrothiophene (CID 58469891) is 2,3-di(propan-2-yl)-2,3-dihydrothiophene.
What is the SMILES notation for 2,3-di(propan-2-yl)-2,3-dihydrothiophene?
The canonical SMILES for 2,3-di(propan-2-yl)-2,3-dihydrothiophene is CC(C)C1C=CSC1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)-2,3-dihydrothiophene?
The InChIKey is ZZZVDCVTMAULLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-7(2)9-5-6-11-10(9)8(3)4/h5-10H,1-4H3.
What are the key properties of 2,3-di(propan-2-yl)-2,3-dihydrothiophene?
2,3-di(propan-2-yl)-2,3-dihydrothiophene has a molecular weight of 170.32 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)-2,3-dihydrothiophene is sourced from PubChem (CID 58469891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).