cyclooctyl-(3-methoxythiophen-2-yl)methanone

C14H20O2S — CID 81118417

IUPACcyclooctyl-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)C1CCCCCCC1
InChIInChI=1S/C14H20O2S/c1-16-12-9-10-17-14(12)13(15)11-7-5-3-2-4-6-8-11/h9-11H,2-8H2,1H3
InChIKeyRURQXOFLLMKETR-UHFFFAOYSA-N
MW252.38 g/mol
LogP4.30
Rot. Bonds3

About cyclooctyl-(3-methoxythiophen-2-yl)methanone

cyclooctyl-(3-methoxythiophen-2-yl)methanone (PubChem CID 81118417) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is cyclooctyl-(3-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Namecyclooctyl-(3-methoxythiophen-2-yl)methanone
PubChem CID81118417
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Namecyclooctyl-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)C1CCCCCCC1
InChIInChI=1S/C14H20O2S/c1-16-12-9-10-17-14(12)13(15)11-7-5-3-2-4-6-8-11/h9-11H,2-8H2,1H3
InChIKeyRURQXOFLLMKETR-UHFFFAOYSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclooctyl-(3-methoxythiophen-2-yl)methanone?
The IUPAC name of cyclooctyl-(3-methoxythiophen-2-yl)methanone (CID 81118417) is cyclooctyl-(3-methoxythiophen-2-yl)methanone.
What is the SMILES notation for cyclooctyl-(3-methoxythiophen-2-yl)methanone?
The canonical SMILES for cyclooctyl-(3-methoxythiophen-2-yl)methanone is COc1ccsc1C(=O)C1CCCCCCC1.
What is the InChIKey of cyclooctyl-(3-methoxythiophen-2-yl)methanone?
The InChIKey is RURQXOFLLMKETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S/c1-16-12-9-10-17-14(12)13(15)11-7-5-3-2-4-6-8-11/h9-11H,2-8H2,1H3.
What are the key properties of cyclooctyl-(3-methoxythiophen-2-yl)methanone?
cyclooctyl-(3-methoxythiophen-2-yl)methanone has a molecular weight of 252.38 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-(3-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 81118417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).