2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiolane

C14H24OS — CID 176602956

IUPAC2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiolane
SMILESCC1(CCOC=C2CCCCC2)CCCS1
InChIInChI=1S/C14H24OS/c1-14(8-5-11-16-14)9-10-15-12-13-6-3-2-4-7-13/h12H,2-11H2,1H3
InChIKeyDBFKNWRVLXXJNM-UHFFFAOYSA-N
MW240.41 g/mol
LogP4.53
Rot. Bonds4

About 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiolane

2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiolane (PubChem CID 176602956) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiolane.

Molecular Properties

Compound Name2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiolane
PubChem CID176602956
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiolane
SMILESCC1(CCOC=C2CCCCC2)CCCS1
InChIInChI=1S/C14H24OS/c1-14(8-5-11-16-14)9-10-15-12-13-6-3-2-4-7-13/h12H,2-11H2,1H3
InChIKeyDBFKNWRVLXXJNM-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(Cyclohexylidenemethoxy)propyl]thiolane
CID 176602921
2-[1-(Cyclohexylidenemethoxy)ethyl]thiolane
CID 176603034
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiolane
CID 176603139
3-[2-(Cyclohexylidenemethoxy)ethyl]thiolane
CID 176603151
4-[3-(Cyclopentylidenemethoxy)propyl]-4-ethylthiane
CID 176603158
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthiolane
CID 176603177
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthiolane 1-oxide
CID 176603216
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane
CID 176603250
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiolane 1-oxide
CID 176603289
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiolane
CID 176603352
3-(Cyclohexylidenemethoxymethyl)-3-ethylthiolane
CID 176603399
2-Ethyl-2-(2-methylprop-1-enoxymethyl)thiolane
CID 176603475

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiolane?
The IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiolane (CID 176602956) is 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiolane.
What is the SMILES notation for 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiolane?
The canonical SMILES for 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiolane is CC1(CCOC=C2CCCCC2)CCCS1.
What is the InChIKey of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiolane?
The InChIKey is DBFKNWRVLXXJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c1-14(8-5-11-16-14)9-10-15-12-13-6-3-2-4-7-13/h12H,2-11H2,1H3.
What are the key properties of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiolane?
2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiolane has a molecular weight of 240.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiolane is sourced from PubChem (CID 176602956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).