5-methyl-2-[2-(5-methylthiophen-3-yl)propan-2-yl]cyclohexan-1-one

C15H22OS — CID 65104592

IUPAC5-methyl-2-[2-(5-methylthiophen-3-yl)propan-2-yl]cyclohexan-1-one
SMILESCc1cc(C(C)(C)C2CCC(C)CC2=O)cs1
InChIInChI=1S/C15H22OS/c1-10-5-6-13(14(16)7-10)15(3,4)12-8-11(2)17-9-12/h8-10,13H,5-7H2,1-4H3
InChIKeyKFZLEYXMHQELOO-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.34
Rot. Bonds2

About 5-methyl-2-[2-(5-methylthiophen-3-yl)propan-2-yl]cyclohexan-1-one

5-methyl-2-[2-(5-methylthiophen-3-yl)propan-2-yl]cyclohexan-1-one (PubChem CID 65104592) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is 5-methyl-2-[2-(5-methylthiophen-3-yl)propan-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name5-methyl-2-[2-(5-methylthiophen-3-yl)propan-2-yl]cyclohexan-1-one
PubChem CID65104592
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name5-methyl-2-[2-(5-methylthiophen-3-yl)propan-2-yl]cyclohexan-1-one
SMILESCc1cc(C(C)(C)C2CCC(C)CC2=O)cs1
InChIInChI=1S/C15H22OS/c1-10-5-6-13(14(16)7-10)15(3,4)12-8-11(2)17-9-12/h8-10,13H,5-7H2,1-4H3
InChIKeyKFZLEYXMHQELOO-UHFFFAOYSA-N
XLogP4.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-(5-methylthiophen-3-yl)propan-2-yl]cyclohexan-1-one?
The IUPAC name of 5-methyl-2-[2-(5-methylthiophen-3-yl)propan-2-yl]cyclohexan-1-one (CID 65104592) is 5-methyl-2-[2-(5-methylthiophen-3-yl)propan-2-yl]cyclohexan-1-one.
What is the SMILES notation for 5-methyl-2-[2-(5-methylthiophen-3-yl)propan-2-yl]cyclohexan-1-one?
The canonical SMILES for 5-methyl-2-[2-(5-methylthiophen-3-yl)propan-2-yl]cyclohexan-1-one is Cc1cc(C(C)(C)C2CCC(C)CC2=O)cs1.
What is the InChIKey of 5-methyl-2-[2-(5-methylthiophen-3-yl)propan-2-yl]cyclohexan-1-one?
The InChIKey is KFZLEYXMHQELOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OS/c1-10-5-6-13(14(16)7-10)15(3,4)12-8-11(2)17-9-12/h8-10,13H,5-7H2,1-4H3.
What are the key properties of 5-methyl-2-[2-(5-methylthiophen-3-yl)propan-2-yl]cyclohexan-1-one?
5-methyl-2-[2-(5-methylthiophen-3-yl)propan-2-yl]cyclohexan-1-one has a molecular weight of 250.41 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-(5-methylthiophen-3-yl)propan-2-yl]cyclohexan-1-one is sourced from PubChem (CID 65104592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).