(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-thiophen-2-ylmethanone

C15H18OS — CID 134978135

IUPAC(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-thiophen-2-ylmethanone
SMILESCC1=C(C)C(C)(C(=O)c2cccs2)C(C)=C1C
InChIInChI=1S/C15H18OS/c1-9-10(2)12(4)15(5,11(9)3)14(16)13-7-6-8-17-13/h6-8H,1-5H3
InChIKeyPVTZJILUOLMBLO-UHFFFAOYSA-N
MW246.37 g/mol
LogP4.62
Rot. Bonds2

About (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-thiophen-2-ylmethanone

(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-thiophen-2-ylmethanone (PubChem CID 134978135) has the molecular formula C15H18OS and a molecular weight of 246.37 g/mol. Its IUPAC name is (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-thiophen-2-ylmethanone
PubChem CID134978135
Molecular FormulaC15H18OS
Molecular Weight246.37 g/mol
Exact Mass246.11
IUPAC Name(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-thiophen-2-ylmethanone
SMILESCC1=C(C)C(C)(C(=O)c2cccs2)C(C)=C1C
InChIInChI=1S/C15H18OS/c1-9-10(2)12(4)15(5,11(9)3)14(16)13-7-6-8-17-13/h6-8H,1-5H3
InChIKeyPVTZJILUOLMBLO-UHFFFAOYSA-N
XLogP4.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2S)-2-(2,2-dichloroethenyl)-1,2,3,3-tetramethylcyclopropyl]-thiophen-2-ylmethanone
CID 10851942
[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethanone
CID 79067610
1-(thiophene-2-carbonyl)cyclopropane-1-carboxylic acid
CID 116920934
(2-methylpiperidin-2-yl)-thiophen-2-ylmethanone
CID 116614225
(1-methoxycyclobutyl)-thiophen-2-ylmethanone
CID 116707010
2-oxo-2-thiophen-2-ylacetaldehyde
CID 5272214
(E)-1-thiophen-2-ylbut-2-en-1-one
CID 5385859
(1-methoxycycloheptyl)-thiophen-2-ylmethanone
CID 116750550
thiophene-2-carboxylic acid;dihydrochloride
CID 142681507
CID 11204853
CID 11204853
2-(1-thiophen-2-ylprop-1-enyl)thiophene
CID 154192160
1-thiophen-2-ylpropan-1-one
CID 26179

Frequently Asked Questions

What is the IUPAC name of (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-thiophen-2-ylmethanone (CID 134978135) is (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-thiophen-2-ylmethanone is CC1=C(C)C(C)(C(=O)c2cccs2)C(C)=C1C.
What is the InChIKey of (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-thiophen-2-ylmethanone?
The InChIKey is PVTZJILUOLMBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c1-9-10(2)12(4)15(5,11(9)3)14(16)13-7-6-8-17-13/h6-8H,1-5H3.
What are the key properties of (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-thiophen-2-ylmethanone?
(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-thiophen-2-ylmethanone has a molecular weight of 246.37 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 134978135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).