3-methyl-2-(3,7,11-trimethyldodecyl)thiophene

C20H36S — CID 574083

IUPAC3-methyl-2-(3,7,11-trimethyldodecyl)thiophene
SMILESCc1ccsc1CCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H36S/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-20-19(5)14-15-21-20/h14-18H,6-13H2,1-5H3
InChIKeyGQSRQFZJEZGNKO-UHFFFAOYSA-N
MW308.57 g/mol
LogP7.26
Rot. Bonds11

About 3-methyl-2-(3,7,11-trimethyldodecyl)thiophene

3-methyl-2-(3,7,11-trimethyldodecyl)thiophene (PubChem CID 574083) has the molecular formula C20H36S and a molecular weight of 308.57 g/mol. Its IUPAC name is 3-methyl-2-(3,7,11-trimethyldodecyl)thiophene.

Molecular Properties

Compound Name3-methyl-2-(3,7,11-trimethyldodecyl)thiophene
PubChem CID574083
Molecular FormulaC20H36S
Molecular Weight308.57 g/mol
Exact Mass308.25
IUPAC Name3-methyl-2-(3,7,11-trimethyldodecyl)thiophene
SMILESCc1ccsc1CCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C20H36S/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-20-19(5)14-15-21-20/h14-18H,6-13H2,1-5H3
InChIKeyGQSRQFZJEZGNKO-UHFFFAOYSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.57
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3,7,11-trimethyldodecyl)thiophene?
The IUPAC name of 3-methyl-2-(3,7,11-trimethyldodecyl)thiophene (CID 574083) is 3-methyl-2-(3,7,11-trimethyldodecyl)thiophene.
What is the SMILES notation for 3-methyl-2-(3,7,11-trimethyldodecyl)thiophene?
The canonical SMILES for 3-methyl-2-(3,7,11-trimethyldodecyl)thiophene is Cc1ccsc1CCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of 3-methyl-2-(3,7,11-trimethyldodecyl)thiophene?
The InChIKey is GQSRQFZJEZGNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36S/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-20-19(5)14-15-21-20/h14-18H,6-13H2,1-5H3.
What are the key properties of 3-methyl-2-(3,7,11-trimethyldodecyl)thiophene?
3-methyl-2-(3,7,11-trimethyldodecyl)thiophene has a molecular weight of 308.57 g/mol, XLogP of 7.26, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3,7,11-trimethyldodecyl)thiophene is sourced from PubChem (CID 574083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).