2,3,4,5,6,7-hexaethyl-1-benzothiophene

C20H30S — CID 71188448

IUPAC2,3,4,5,6,7-hexaethyl-1-benzothiophene
SMILESCCc1sc2c(CC)c(CC)c(CC)c(CC)c2c1CC
InChIInChI=1S/C20H30S/c1-7-13-14(8-2)16(10-4)20-19(15(13)9-3)17(11-5)18(12-6)21-20/h7-12H2,1-6H3
InChIKeyZCCQVKKOKFLJJY-UHFFFAOYSA-N
MW302.53 g/mol
LogP6.28
Rot. Bonds6

About 2,3,4,5,6,7-hexaethyl-1-benzothiophene

2,3,4,5,6,7-hexaethyl-1-benzothiophene (PubChem CID 71188448) has the molecular formula C20H30S and a molecular weight of 302.53 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexaethyl-1-benzothiophene.

Molecular Properties

Compound Name2,3,4,5,6,7-hexaethyl-1-benzothiophene
PubChem CID71188448
Molecular FormulaC20H30S
Molecular Weight302.53 g/mol
Exact Mass302.21
IUPAC Name2,3,4,5,6,7-hexaethyl-1-benzothiophene
SMILESCCc1sc2c(CC)c(CC)c(CC)c(CC)c2c1CC
InChIInChI=1S/C20H30S/c1-7-13-14(8-2)16(10-4)20-19(15(13)9-3)17(11-5)18(12-6)21-20/h7-12H2,1-6H3
InChIKeyZCCQVKKOKFLJJY-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.53
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7-hexaethyl-1-benzothiophene?
The IUPAC name of 2,3,4,5,6,7-hexaethyl-1-benzothiophene (CID 71188448) is 2,3,4,5,6,7-hexaethyl-1-benzothiophene.
What is the SMILES notation for 2,3,4,5,6,7-hexaethyl-1-benzothiophene?
The canonical SMILES for 2,3,4,5,6,7-hexaethyl-1-benzothiophene is CCc1sc2c(CC)c(CC)c(CC)c(CC)c2c1CC.
What is the InChIKey of 2,3,4,5,6,7-hexaethyl-1-benzothiophene?
The InChIKey is ZCCQVKKOKFLJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30S/c1-7-13-14(8-2)16(10-4)20-19(15(13)9-3)17(11-5)18(12-6)21-20/h7-12H2,1-6H3.
What are the key properties of 2,3,4,5,6,7-hexaethyl-1-benzothiophene?
2,3,4,5,6,7-hexaethyl-1-benzothiophene has a molecular weight of 302.53 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexaethyl-1-benzothiophene is sourced from PubChem (CID 71188448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).