2,3,5-trimethyl-6-propan-2-ylidene-4,5-dihydrocyclopenta[b]thiophene

C13H18S — CID 142615413

IUPAC2,3,5-trimethyl-6-propan-2-ylidene-4,5-dihydrocyclopenta[b]thiophene
SMILESCC(C)=C1c2sc(C)c(C)c2CC1C
InChIInChI=1S/C13H18S/c1-7(2)12-8(3)6-11-9(4)10(5)14-13(11)12/h8H,6H2,1-5H3
InChIKeyYPQOCSOICQTPBH-UHFFFAOYSA-N
MW206.35 g/mol
LogP4.35
Rot. Bonds

About 2,3,5-trimethyl-6-propan-2-ylidene-4,5-dihydrocyclopenta[b]thiophene

2,3,5-trimethyl-6-propan-2-ylidene-4,5-dihydrocyclopenta[b]thiophene (PubChem CID 142615413) has the molecular formula C13H18S and a molecular weight of 206.35 g/mol. Its IUPAC name is 2,3,5-trimethyl-6-propan-2-ylidene-4,5-dihydrocyclopenta[b]thiophene.

Molecular Properties

Compound Name2,3,5-trimethyl-6-propan-2-ylidene-4,5-dihydrocyclopenta[b]thiophene
PubChem CID142615413
Molecular FormulaC13H18S
Molecular Weight206.35 g/mol
Exact Mass206.11
IUPAC Name2,3,5-trimethyl-6-propan-2-ylidene-4,5-dihydrocyclopenta[b]thiophene
SMILESCC(C)=C1c2sc(C)c(C)c2CC1C
InChIInChI=1S/C13H18S/c1-7(2)12-8(3)6-11-9(4)10(5)14-13(11)12/h8H,6H2,1-5H3
InChIKeyYPQOCSOICQTPBH-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-6-propan-2-ylidene-4,5-dihydrocyclopenta[b]thiophene?
The IUPAC name of 2,3,5-trimethyl-6-propan-2-ylidene-4,5-dihydrocyclopenta[b]thiophene (CID 142615413) is 2,3,5-trimethyl-6-propan-2-ylidene-4,5-dihydrocyclopenta[b]thiophene.
What is the SMILES notation for 2,3,5-trimethyl-6-propan-2-ylidene-4,5-dihydrocyclopenta[b]thiophene?
The canonical SMILES for 2,3,5-trimethyl-6-propan-2-ylidene-4,5-dihydrocyclopenta[b]thiophene is CC(C)=C1c2sc(C)c(C)c2CC1C.
What is the InChIKey of 2,3,5-trimethyl-6-propan-2-ylidene-4,5-dihydrocyclopenta[b]thiophene?
The InChIKey is YPQOCSOICQTPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18S/c1-7(2)12-8(3)6-11-9(4)10(5)14-13(11)12/h8H,6H2,1-5H3.
What are the key properties of 2,3,5-trimethyl-6-propan-2-ylidene-4,5-dihydrocyclopenta[b]thiophene?
2,3,5-trimethyl-6-propan-2-ylidene-4,5-dihydrocyclopenta[b]thiophene has a molecular weight of 206.35 g/mol, XLogP of 4.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-6-propan-2-ylidene-4,5-dihydrocyclopenta[b]thiophene is sourced from PubChem (CID 142615413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).