3-(4-methylpent-3-enyl)-2,5-dihydrothiophene

C10H16S — CID 57037159

IUPAC3-(4-methylpent-3-enyl)-2,5-dihydrothiophene
SMILESCC(C)=CCCC1=CCSC1
InChIInChI=1S/C10H16S/c1-9(2)4-3-5-10-6-7-11-8-10/h4,6H,3,5,7-8H2,1-2H3
InChIKeyXVGAFAVFBJIMRP-UHFFFAOYSA-N
MW168.30 g/mol
LogP3.41
Rot. Bonds3

About 3-(4-methylpent-3-enyl)-2,5-dihydrothiophene

3-(4-methylpent-3-enyl)-2,5-dihydrothiophene (PubChem CID 57037159) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is 3-(4-methylpent-3-enyl)-2,5-dihydrothiophene.

Molecular Properties

Compound Name3-(4-methylpent-3-enyl)-2,5-dihydrothiophene
PubChem CID57037159
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name3-(4-methylpent-3-enyl)-2,5-dihydrothiophene
SMILESCC(C)=CCCC1=CCSC1
InChIInChI=1S/C10H16S/c1-9(2)4-3-5-10-6-7-11-8-10/h4,6H,3,5,7-8H2,1-2H3
InChIKeyXVGAFAVFBJIMRP-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.41
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

2,6-Octadiene, 3,7-dimethyl-1-(methylthio)-, (2E)-
CID 6442043
2,6-Octadiene, 3,7-dimethyl-1-(methylthio)-, (2Z)-
CID 6442039
Dhwyccuuwkegof-uhfffaoysa-
CID 10920955
(2E,6E)-3,7,11-trimethyl-1-propan-2-ylsulfanyldodeca-2,6,10-triene
CID 71498424
(2E,6E)-3,7,11-trimethyl-1-propylsulfanyldodeca-2,6,10-triene
CID 71498425
2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylethanethiol
CID 71498426
2-Propyl-2,5-dihydrothiophene
CID 15032355
2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1,3-dithiolane
CID 10922282
5-Butyl-2,3-dihydrothiophene
CID 11062496
5-Methyl-2-propan-2-yl-2,3-dihydrothiophene
CID 12596207
3-Ethylsulfanylcyclopentene
CID 13244646
(E)-1-methylsulfanyloct-3-ene
CID 14024902

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpent-3-enyl)-2,5-dihydrothiophene?
The IUPAC name of 3-(4-methylpent-3-enyl)-2,5-dihydrothiophene (CID 57037159) is 3-(4-methylpent-3-enyl)-2,5-dihydrothiophene.
What is the SMILES notation for 3-(4-methylpent-3-enyl)-2,5-dihydrothiophene?
The canonical SMILES for 3-(4-methylpent-3-enyl)-2,5-dihydrothiophene is CC(C)=CCCC1=CCSC1.
What is the InChIKey of 3-(4-methylpent-3-enyl)-2,5-dihydrothiophene?
The InChIKey is XVGAFAVFBJIMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-9(2)4-3-5-10-6-7-11-8-10/h4,6H,3,5,7-8H2,1-2H3.
What are the key properties of 3-(4-methylpent-3-enyl)-2,5-dihydrothiophene?
3-(4-methylpent-3-enyl)-2,5-dihydrothiophene has a molecular weight of 168.30 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpent-3-enyl)-2,5-dihydrothiophene is sourced from PubChem (CID 57037159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).