2,3,4-trimethyl-2-(3-methylbut-2-enyl)-5-methylidenethiophene

C13H20S — CID 142075097

IUPAC2,3,4-trimethyl-2-(3-methylbut-2-enyl)-5-methylidenethiophene
SMILESC=C1SC(C)(CC=C(C)C)C(C)=C1C
InChIInChI=1S/C13H20S/c1-9(2)7-8-13(6)11(4)10(3)12(5)14-13/h7H,5,8H2,1-4,6H3
InChIKeyRFAPWNYYXJOUHB-UHFFFAOYSA-N
MW208.37 g/mol
LogP4.70
Rot. Bonds2

About 2,3,4-trimethyl-2-(3-methylbut-2-enyl)-5-methylidenethiophene

2,3,4-trimethyl-2-(3-methylbut-2-enyl)-5-methylidenethiophene (PubChem CID 142075097) has the molecular formula C13H20S and a molecular weight of 208.37 g/mol. Its IUPAC name is 2,3,4-trimethyl-2-(3-methylbut-2-enyl)-5-methylidenethiophene.

Molecular Properties

Compound Name2,3,4-trimethyl-2-(3-methylbut-2-enyl)-5-methylidenethiophene
PubChem CID142075097
Molecular FormulaC13H20S
Molecular Weight208.37 g/mol
Exact Mass208.13
IUPAC Name2,3,4-trimethyl-2-(3-methylbut-2-enyl)-5-methylidenethiophene
SMILESC=C1SC(C)(CC=C(C)C)C(C)=C1C
InChIInChI=1S/C13H20S/c1-9(2)7-8-13(6)11(4)10(3)12(5)14-13/h7H,5,8H2,1-4,6H3
InChIKeyRFAPWNYYXJOUHB-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 54.70
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

(2Z,4E)-5-buta-1,3-dien-2-ylsulfanyl-7-fluoro-7-methyl-6-methylideneocta-2,4-diene
CID 156057037
1-(3-Ethyl-1,1,1-trifluoropentan-3-yl)sulfanyl-4-methylcyclohexa-1,3-diene
CID 141983705
Butyl furfuryl sulfide
CID 528325
Furfuryl pentyl sulfide
CID 528329
Isobutyl furfuryl sulfide
CID 528331
2-ethyl-3,4-dimethyl-3aH-cyclopenta[b]thiophene
CID 17911752
(3E)-4-methyl-5-propan-2-ylsulfanylhepta-1,3-diene
CID 21034835
(3E,5S)-4-methyl-5-propan-2-ylsulfanylhepta-1,3-diene
CID 58597093
5-methylidene-4-propan-2-yl-2H-thiophene
CID 59293492
1-Methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)sulfanylcyclohexa-1,3-diene
CID 59392094
3,4,5-trimethyl-2-(2-methylcyclopenta-2,4-dien-1-ylidene)-3H-thiophene
CID 67251212
2,5-Dimethyl-3-(2-methylpropylidene)thiophene
CID 67793450

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-2-(3-methylbut-2-enyl)-5-methylidenethiophene?
The IUPAC name of 2,3,4-trimethyl-2-(3-methylbut-2-enyl)-5-methylidenethiophene (CID 142075097) is 2,3,4-trimethyl-2-(3-methylbut-2-enyl)-5-methylidenethiophene.
What is the SMILES notation for 2,3,4-trimethyl-2-(3-methylbut-2-enyl)-5-methylidenethiophene?
The canonical SMILES for 2,3,4-trimethyl-2-(3-methylbut-2-enyl)-5-methylidenethiophene is C=C1SC(C)(CC=C(C)C)C(C)=C1C.
What is the InChIKey of 2,3,4-trimethyl-2-(3-methylbut-2-enyl)-5-methylidenethiophene?
The InChIKey is RFAPWNYYXJOUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20S/c1-9(2)7-8-13(6)11(4)10(3)12(5)14-13/h7H,5,8H2,1-4,6H3.
What are the key properties of 2,3,4-trimethyl-2-(3-methylbut-2-enyl)-5-methylidenethiophene?
2,3,4-trimethyl-2-(3-methylbut-2-enyl)-5-methylidenethiophene has a molecular weight of 208.37 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-2-(3-methylbut-2-enyl)-5-methylidenethiophene is sourced from PubChem (CID 142075097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).