2-cyclohexylidene-5-methylthiolane

C11H18S — CID 134996210

IUPAC2-cyclohexylidene-5-methylthiolane
SMILESCC1CCC(=C2CCCCC2)S1
InChIInChI=1S/C11H18S/c1-9-7-8-11(12-9)10-5-3-2-4-6-10/h9H,2-8H2,1H3
InChIKeyKWDUBMFEQNRSAG-UHFFFAOYSA-N
MW182.33 g/mol
LogP4.12
Rot. Bonds

About 2-cyclohexylidene-5-methylthiolane

2-cyclohexylidene-5-methylthiolane (PubChem CID 134996210) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is 2-cyclohexylidene-5-methylthiolane.

Molecular Properties

Compound Name2-cyclohexylidene-5-methylthiolane
PubChem CID134996210
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name2-cyclohexylidene-5-methylthiolane
SMILESCC1CCC(=C2CCCCC2)S1
InChIInChI=1S/C11H18S/c1-9-7-8-11(12-9)10-5-3-2-4-6-10/h9H,2-8H2,1H3
InChIKeyKWDUBMFEQNRSAG-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-5-methylthiolane?
The IUPAC name of 2-cyclohexylidene-5-methylthiolane (CID 134996210) is 2-cyclohexylidene-5-methylthiolane.
What is the SMILES notation for 2-cyclohexylidene-5-methylthiolane?
The canonical SMILES for 2-cyclohexylidene-5-methylthiolane is CC1CCC(=C2CCCCC2)S1.
What is the InChIKey of 2-cyclohexylidene-5-methylthiolane?
The InChIKey is KWDUBMFEQNRSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S/c1-9-7-8-11(12-9)10-5-3-2-4-6-10/h9H,2-8H2,1H3.
What are the key properties of 2-cyclohexylidene-5-methylthiolane?
2-cyclohexylidene-5-methylthiolane has a molecular weight of 182.33 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-5-methylthiolane is sourced from PubChem (CID 134996210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).