3-ethenyl-5-methyl-2-prop-1-enylthiophene

C10H12S — CID 123809653

IUPAC3-ethenyl-5-methyl-2-prop-1-enylthiophene
SMILESC=Cc1cc(C)sc1C=CC
InChIInChI=1S/C10H12S/c1-4-6-10-9(5-2)7-8(3)11-10/h4-7H,2H2,1,3H3
InChIKeyVDMUJMMCDDEWFR-UHFFFAOYSA-N
MW164.27 g/mol
LogP3.73
Rot. Bonds2

About 3-ethenyl-5-methyl-2-prop-1-enylthiophene

3-ethenyl-5-methyl-2-prop-1-enylthiophene (PubChem CID 123809653) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is 3-ethenyl-5-methyl-2-prop-1-enylthiophene.

Molecular Properties

Compound Name3-ethenyl-5-methyl-2-prop-1-enylthiophene
PubChem CID123809653
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name3-ethenyl-5-methyl-2-prop-1-enylthiophene
SMILESC=Cc1cc(C)sc1C=CC
InChIInChI=1S/C10H12S/c1-4-6-10-9(5-2)7-8(3)11-10/h4-7H,2H2,1,3H3
InChIKeyVDMUJMMCDDEWFR-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-ethenyl-4-methyl-1-[(Z)-prop-1-enyl]benzene
CID 172609650
ethane;1-ethenyl-4-methyl-2-[(Z)-prop-1-enyl]benzene;methane
CID 143188972
ethane;5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]pyridine
CID 143821752
3-ethenyl-5-methyl-2,6-bis[(Z)-prop-1-enyl]thiopyran-4-one
CID 134285804
4,5-bis(ethenyl)thiophen-2-amine
CID 142930425
3-[(1Z)-buta-1,3-dienyl]-4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]thiophene
CID 135215565
4-ethenyl-5-[(Z)-prop-1-enyl]thiophene-3-carbaldehyde
CID 138612930
2,3-bis(ethenyl)-5-ethylthiophene;ethane
CID 142071881
2-chloro-1-ethenyl-3-methyl-4-[(Z)-prop-1-enyl]benzene
CID 153376323
1,2-bis(ethenyl)-4,5-dimethyl-3-[(Z)-prop-1-enyl]benzene;buta-1,3-diene;ethane
CID 153344480
2,3,4,5-tetrakis[(Z)-prop-1-enyl]thiophene
CID 138605345
3,5-dimethyl-2-[(1Z)-2-methylbuta-1,3-dienyl]thiophene
CID 142079801

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-methyl-2-prop-1-enylthiophene?
The IUPAC name of 3-ethenyl-5-methyl-2-prop-1-enylthiophene (CID 123809653) is 3-ethenyl-5-methyl-2-prop-1-enylthiophene.
What is the SMILES notation for 3-ethenyl-5-methyl-2-prop-1-enylthiophene?
The canonical SMILES for 3-ethenyl-5-methyl-2-prop-1-enylthiophene is C=Cc1cc(C)sc1C=CC.
What is the InChIKey of 3-ethenyl-5-methyl-2-prop-1-enylthiophene?
The InChIKey is VDMUJMMCDDEWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S/c1-4-6-10-9(5-2)7-8(3)11-10/h4-7H,2H2,1,3H3.
What are the key properties of 3-ethenyl-5-methyl-2-prop-1-enylthiophene?
3-ethenyl-5-methyl-2-prop-1-enylthiophene has a molecular weight of 164.27 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-methyl-2-prop-1-enylthiophene is sourced from PubChem (CID 123809653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).