4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]thiophen-5-one

C8H10OS — CID 11789430

IUPAC4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]thiophen-5-one
SMILESCC1=C2CSCC2CC1=O
InChIInChI=1S/C8H10OS/c1-5-7-4-10-3-6(7)2-8(5)9/h6H,2-4H2,1H3
InChIKeyJDMLQFHLQCJTTQ-UHFFFAOYSA-N
MW154.23 g/mol
LogP1.64
Rot. Bonds

About 4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]thiophen-5-one

4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]thiophen-5-one (PubChem CID 11789430) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]thiophen-5-one.

Molecular Properties

Compound Name4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]thiophen-5-one
PubChem CID11789430
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]thiophen-5-one
SMILESCC1=C2CSCC2CC1=O
InChIInChI=1S/C8H10OS/c1-5-7-4-10-3-6(7)2-8(5)9/h6H,2-4H2,1H3
InChIKeyJDMLQFHLQCJTTQ-UHFFFAOYSA-N
XLogP1.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethylthiocarvone
CID 129763983
4,4-dimethyl-3,5-dihydro-2H-cyclopenta[b]thiophen-6-one
CID 134996240
2,3-Dimethyl-5-(methylsulfanylmethyl)cyclopent-2-en-1-one
CID 23260367
4-Prop-1-en-2-yl-7-thiabicyclo[4.2.0]oct-1(6)-en-2-one
CID 18362547
3,5-Dimethyl-6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one
CID 23535041
5-Methyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one
CID 23535074
(3Z)-3-[1-(thian-3-yl)ethylidene]hexan-2-one
CID 57194019
1-(2-Acetyl-3a,4,6,6a-tetrahydrothieno[3,4-b]thiophen-3-yl)ethanone
CID 130177497
2,3-Diethyl-5,6-dimethyl-2,3-dihydrothiopyran-4-one;ethane
CID 143862671
(3E)-3-ethylidene-4-methyl-1-(1-methylthiolan-1-yl)hexan-2-one
CID 163731287
S-[(2,2,3,4-tetramethyl-5-oxocyclopent-3-en-1-yl)methyl] ethanethioate
CID 10376423
3-(2-ethylsulfanylethyl)-4,5,6,6a-tetrahydro-1H-pentalen-2-one
CID 10856756

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]thiophen-5-one?
The IUPAC name of 4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]thiophen-5-one (CID 11789430) is 4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]thiophen-5-one.
What is the SMILES notation for 4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]thiophen-5-one?
The canonical SMILES for 4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]thiophen-5-one is CC1=C2CSCC2CC1=O.
What is the InChIKey of 4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]thiophen-5-one?
The InChIKey is JDMLQFHLQCJTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c1-5-7-4-10-3-6(7)2-8(5)9/h6H,2-4H2,1H3.
What are the key properties of 4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]thiophen-5-one?
4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]thiophen-5-one has a molecular weight of 154.23 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3,6,6a-tetrahydrocyclopenta[c]thiophen-5-one is sourced from PubChem (CID 11789430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).