(4,5-dimethylthiophen-2-yl)-(3-methylcyclohexyl)methanone

C14H20OS — CID 114976354

IUPAC(4,5-dimethylthiophen-2-yl)-(3-methylcyclohexyl)methanone
SMILESCc1cc(C(=O)C2CCCC(C)C2)sc1C
InChIInChI=1S/C14H20OS/c1-9-5-4-6-12(7-9)14(15)13-8-10(2)11(3)16-13/h8-9,12H,4-7H2,1-3H3
InChIKeyZZZSRCMLFVONNY-UHFFFAOYSA-N
MW236.38 g/mol
LogP4.37
Rot. Bonds2

About (4,5-dimethylthiophen-2-yl)-(3-methylcyclohexyl)methanone

(4,5-dimethylthiophen-2-yl)-(3-methylcyclohexyl)methanone (PubChem CID 114976354) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-(3-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)-(3-methylcyclohexyl)methanone
PubChem CID114976354
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name(4,5-dimethylthiophen-2-yl)-(3-methylcyclohexyl)methanone
SMILESCc1cc(C(=O)C2CCCC(C)C2)sc1C
InChIInChI=1S/C14H20OS/c1-9-5-4-6-12(7-9)14(15)13-8-10(2)11(3)16-13/h8-9,12H,4-7H2,1-3H3
InChIKeyZZZSRCMLFVONNY-UHFFFAOYSA-N
XLogP4.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-(3-methylcyclohexyl)methanone?
The IUPAC name of (4,5-dimethylthiophen-2-yl)-(3-methylcyclohexyl)methanone (CID 114976354) is (4,5-dimethylthiophen-2-yl)-(3-methylcyclohexyl)methanone.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-(3-methylcyclohexyl)methanone?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)-(3-methylcyclohexyl)methanone is Cc1cc(C(=O)C2CCCC(C)C2)sc1C.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)-(3-methylcyclohexyl)methanone?
The InChIKey is ZZZSRCMLFVONNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c1-9-5-4-6-12(7-9)14(15)13-8-10(2)11(3)16-13/h8-9,12H,4-7H2,1-3H3.
What are the key properties of (4,5-dimethylthiophen-2-yl)-(3-methylcyclohexyl)methanone?
(4,5-dimethylthiophen-2-yl)-(3-methylcyclohexyl)methanone has a molecular weight of 236.38 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)-(3-methylcyclohexyl)methanone is sourced from PubChem (CID 114976354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).