6-ethyl-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene

C14H20S — CID 131993769

IUPAC6-ethyl-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene
SMILESC=C(C)c1c(C)sc2c1CCC(CC)C2
InChIInChI=1S/C14H20S/c1-5-11-6-7-12-13(8-11)15-10(4)14(12)9(2)3/h11H,2,5-8H2,1,3-4H3
InChIKeyCFZGMYRGKPHPLP-UHFFFAOYSA-N
MW220.38 g/mol
LogP4.60
Rot. Bonds2

About 6-ethyl-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene

6-ethyl-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene (PubChem CID 131993769) has the molecular formula C14H20S and a molecular weight of 220.38 g/mol. Its IUPAC name is 6-ethyl-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene.

Molecular Properties

Compound Name6-ethyl-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene
PubChem CID131993769
Molecular FormulaC14H20S
Molecular Weight220.38 g/mol
Exact Mass220.13
IUPAC Name6-ethyl-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene
SMILESC=C(C)c1c(C)sc2c1CCC(CC)C2
InChIInChI=1S/C14H20S/c1-5-11-6-7-12-13(8-11)15-10(4)14(12)9(2)3/h11H,2,5-8H2,1,3-4H3
InChIKeyCFZGMYRGKPHPLP-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene?
The IUPAC name of 6-ethyl-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene (CID 131993769) is 6-ethyl-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene.
What is the SMILES notation for 6-ethyl-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene?
The canonical SMILES for 6-ethyl-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene is C=C(C)c1c(C)sc2c1CCC(CC)C2.
What is the InChIKey of 6-ethyl-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene?
The InChIKey is CFZGMYRGKPHPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20S/c1-5-11-6-7-12-13(8-11)15-10(4)14(12)9(2)3/h11H,2,5-8H2,1,3-4H3.
What are the key properties of 6-ethyl-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene?
6-ethyl-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene has a molecular weight of 220.38 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-3-prop-1-en-2-yl-4,5,6,7-tetrahydro-1-benzothiophene is sourced from PubChem (CID 131993769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).