2-[(E)-3-methylbut-1-enyl]-3-propan-2-ylthiophene

C12H18S — CID 66804092

IUPAC2-[(E)-3-methylbut-1-enyl]-3-propan-2-ylthiophene
SMILESCC(C)/C=C/c1sccc1C(C)C
InChIInChI=1S/C12H18S/c1-9(2)5-6-12-11(10(3)4)7-8-13-12/h5-10H,1-4H3/b6-5+
InChIKeyVKAISBQIICKGOH-AATRIKPKSA-N
MW194.34 g/mol
LogP4.54
Rot. Bonds3

About 2-[(E)-3-methylbut-1-enyl]-3-propan-2-ylthiophene

2-[(E)-3-methylbut-1-enyl]-3-propan-2-ylthiophene (PubChem CID 66804092) has the molecular formula C12H18S and a molecular weight of 194.34 g/mol. Its IUPAC name is 2-[(E)-3-methylbut-1-enyl]-3-propan-2-ylthiophene.

Molecular Properties

Compound Name2-[(E)-3-methylbut-1-enyl]-3-propan-2-ylthiophene
PubChem CID66804092
Molecular FormulaC12H18S
Molecular Weight194.34 g/mol
Exact Mass194.11
IUPAC Name2-[(E)-3-methylbut-1-enyl]-3-propan-2-ylthiophene
SMILESCC(C)/C=C/c1sccc1C(C)C
InChIInChI=1S/C12H18S/c1-9(2)5-6-12-11(10(3)4)7-8-13-12/h5-10H,1-4H3/b6-5+
InChIKeyVKAISBQIICKGOH-AATRIKPKSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.34
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-methylbut-1-enyl]-3-propan-2-ylthiophene?
The IUPAC name of 2-[(E)-3-methylbut-1-enyl]-3-propan-2-ylthiophene (CID 66804092) is 2-[(E)-3-methylbut-1-enyl]-3-propan-2-ylthiophene.
What is the SMILES notation for 2-[(E)-3-methylbut-1-enyl]-3-propan-2-ylthiophene?
The canonical SMILES for 2-[(E)-3-methylbut-1-enyl]-3-propan-2-ylthiophene is CC(C)/C=C/c1sccc1C(C)C.
What is the InChIKey of 2-[(E)-3-methylbut-1-enyl]-3-propan-2-ylthiophene?
The InChIKey is VKAISBQIICKGOH-AATRIKPKSA-N. The full InChI is InChI=1S/C12H18S/c1-9(2)5-6-12-11(10(3)4)7-8-13-12/h5-10H,1-4H3/b6-5+.
What are the key properties of 2-[(E)-3-methylbut-1-enyl]-3-propan-2-ylthiophene?
2-[(E)-3-methylbut-1-enyl]-3-propan-2-ylthiophene has a molecular weight of 194.34 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-methylbut-1-enyl]-3-propan-2-ylthiophene is sourced from PubChem (CID 66804092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).