2-cyclohexylidene-3-methoxythiolane

C11H18OS — CID 14964053

IUPAC2-cyclohexylidene-3-methoxythiolane
SMILESCOC1CCSC1=C1CCCCC1
InChIInChI=1S/C11H18OS/c1-12-10-7-8-13-11(10)9-5-3-2-4-6-9/h10H,2-8H2,1H3
InChIKeyWGFHXSAMNKKYFI-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.36
Rot. Bonds1

About 2-cyclohexylidene-3-methoxythiolane

2-cyclohexylidene-3-methoxythiolane (PubChem CID 14964053) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-cyclohexylidene-3-methoxythiolane.

Molecular Properties

Compound Name2-cyclohexylidene-3-methoxythiolane
PubChem CID14964053
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name2-cyclohexylidene-3-methoxythiolane
SMILESCOC1CCSC1=C1CCCCC1
InChIInChI=1S/C11H18OS/c1-12-10-7-8-13-11(10)9-5-3-2-4-6-9/h10H,2-8H2,1H3
InChIKeyWGFHXSAMNKKYFI-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-3-methoxythiolane?
The IUPAC name of 2-cyclohexylidene-3-methoxythiolane (CID 14964053) is 2-cyclohexylidene-3-methoxythiolane.
What is the SMILES notation for 2-cyclohexylidene-3-methoxythiolane?
The canonical SMILES for 2-cyclohexylidene-3-methoxythiolane is COC1CCSC1=C1CCCCC1.
What is the InChIKey of 2-cyclohexylidene-3-methoxythiolane?
The InChIKey is WGFHXSAMNKKYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-12-10-7-8-13-11(10)9-5-3-2-4-6-9/h10H,2-8H2,1H3.
What are the key properties of 2-cyclohexylidene-3-methoxythiolane?
2-cyclohexylidene-3-methoxythiolane has a molecular weight of 198.33 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-3-methoxythiolane is sourced from PubChem (CID 14964053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).