ethyl 2-(cyclohex-2-en-1-ylidenemethylsulfanyl)acetate

C11H16O2S — CID 70525156

IUPACethyl 2-(cyclohex-2-en-1-ylidenemethylsulfanyl)acetate
SMILESCCOC(=O)CSC=C1C=CCCC1
InChIInChI=1S/C11H16O2S/c1-2-13-11(12)9-14-8-10-6-4-3-5-7-10/h4,6,8H,2-3,5,7,9H2,1H3
InChIKeyJVKFEQMQPAQZGX-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.91
Rot. Bonds4

About ethyl 2-(cyclohex-2-en-1-ylidenemethylsulfanyl)acetate

ethyl 2-(cyclohex-2-en-1-ylidenemethylsulfanyl)acetate (PubChem CID 70525156) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is ethyl 2-(cyclohex-2-en-1-ylidenemethylsulfanyl)acetate.

Molecular Properties

Compound Nameethyl 2-(cyclohex-2-en-1-ylidenemethylsulfanyl)acetate
PubChem CID70525156
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Nameethyl 2-(cyclohex-2-en-1-ylidenemethylsulfanyl)acetate
SMILESCCOC(=O)CSC=C1C=CCCC1
InChIInChI=1S/C11H16O2S/c1-2-13-11(12)9-14-8-10-6-4-3-5-7-10/h4,6,8H,2-3,5,7,9H2,1H3
InChIKeyJVKFEQMQPAQZGX-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclohex-2-en-1-ylidenemethylsulfanyl)acetate?
The IUPAC name of ethyl 2-(cyclohex-2-en-1-ylidenemethylsulfanyl)acetate (CID 70525156) is ethyl 2-(cyclohex-2-en-1-ylidenemethylsulfanyl)acetate.
What is the SMILES notation for ethyl 2-(cyclohex-2-en-1-ylidenemethylsulfanyl)acetate?
The canonical SMILES for ethyl 2-(cyclohex-2-en-1-ylidenemethylsulfanyl)acetate is CCOC(=O)CSC=C1C=CCCC1.
What is the InChIKey of ethyl 2-(cyclohex-2-en-1-ylidenemethylsulfanyl)acetate?
The InChIKey is JVKFEQMQPAQZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-2-13-11(12)9-14-8-10-6-4-3-5-7-10/h4,6,8H,2-3,5,7,9H2,1H3.
What are the key properties of ethyl 2-(cyclohex-2-en-1-ylidenemethylsulfanyl)acetate?
ethyl 2-(cyclohex-2-en-1-ylidenemethylsulfanyl)acetate has a molecular weight of 212.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclohex-2-en-1-ylidenemethylsulfanyl)acetate is sourced from PubChem (CID 70525156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).