ethane;3-methyl-4-propan-2-yl-2,5-dihydrothiophene

C10H20S — CID 176926600

IUPACethane;3-methyl-4-propan-2-yl-2,5-dihydrothiophene
SMILESCC.CC1=C(C(C)C)CSC1
InChIInChI=1S/C8H14S.C2H6/c1-6(2)8-5-9-4-7(8)3;1-2/h6H,4-5H2,1-3H3;1-2H3
InChIKeyYJILCEZIXHHPHK-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.73
Rot. Bonds1

About ethane;3-methyl-4-propan-2-yl-2,5-dihydrothiophene

ethane;3-methyl-4-propan-2-yl-2,5-dihydrothiophene (PubChem CID 176926600) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is ethane;3-methyl-4-propan-2-yl-2,5-dihydrothiophene.

Molecular Properties

Compound Nameethane;3-methyl-4-propan-2-yl-2,5-dihydrothiophene
PubChem CID176926600
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Nameethane;3-methyl-4-propan-2-yl-2,5-dihydrothiophene
SMILESCC.CC1=C(C(C)C)CSC1
InChIInChI=1S/C8H14S.C2H6/c1-6(2)8-5-9-4-7(8)3;1-2/h6H,4-5H2,1-3H3;1-2H3
InChIKeyYJILCEZIXHHPHK-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
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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Related Compounds

ethane;1-methyl-2-propan-2-ylcyclopentene
CID 145236747
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CID 167536251
1,3-dimethyl-2,4-di(propan-2-yl)cyclohexa-1,3-diene
CID 164990673
4-methyl-2,5-dihydrothiophene-3-sulfonyl chloride
CID 87552031
4,5-di(propan-2-yl)-3H-pyrrole;ethane
CID 161291459
6-fluoro-5-methyl-2-propan-2-ylcyclohexa-1,5-dien-1-ol
CID 172586012
4-methyl-1,2-di(propan-2-yl)cyclopentene
CID 140883778
2-methyl-1-propan-2-ylcyclopenta-1,3-diene
CID 18914846
5-methyl-4-propan-2-yl-3H-pyrazole
CID 59334734
1,2-di(propan-2-yl)cyclopenta-1,3-diene;ethane
CID 162105362
ethane;1,3,4,5,6-penta(propan-2-yl)-2,7-dihydroazepine
CID 158337584
1,2,4-tri(propan-2-yl)cyclopentene
CID 20780367

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-4-propan-2-yl-2,5-dihydrothiophene?
The IUPAC name of ethane;3-methyl-4-propan-2-yl-2,5-dihydrothiophene (CID 176926600) is ethane;3-methyl-4-propan-2-yl-2,5-dihydrothiophene.
What is the SMILES notation for ethane;3-methyl-4-propan-2-yl-2,5-dihydrothiophene?
The canonical SMILES for ethane;3-methyl-4-propan-2-yl-2,5-dihydrothiophene is CC.CC1=C(C(C)C)CSC1.
What is the InChIKey of ethane;3-methyl-4-propan-2-yl-2,5-dihydrothiophene?
The InChIKey is YJILCEZIXHHPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S.C2H6/c1-6(2)8-5-9-4-7(8)3;1-2/h6H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;3-methyl-4-propan-2-yl-2,5-dihydrothiophene?
ethane;3-methyl-4-propan-2-yl-2,5-dihydrothiophene has a molecular weight of 172.34 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-4-propan-2-yl-2,5-dihydrothiophene is sourced from PubChem (CID 176926600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).