3-[1-(cyclohexylidenemethoxy)ethyl]thiane

C14H24OS — CID 176604801

IUPAC3-[1-(cyclohexylidenemethoxy)ethyl]thiane
SMILESCC(OC=C1CCCCC1)C1CCCSC1
InChIInChI=1S/C14H24OS/c1-12(14-8-5-9-16-11-14)15-10-13-6-3-2-4-7-13/h10,12,14H,2-9,11H2,1H3
InChIKeyQSROUGOPUKHYHK-UHFFFAOYSA-N
MW240.41 g/mol
LogP4.38
Rot. Bonds3

About 3-[1-(cyclohexylidenemethoxy)ethyl]thiane

3-[1-(cyclohexylidenemethoxy)ethyl]thiane (PubChem CID 176604801) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 3-[1-(cyclohexylidenemethoxy)ethyl]thiane.

Molecular Properties

Compound Name3-[1-(cyclohexylidenemethoxy)ethyl]thiane
PubChem CID176604801
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name3-[1-(cyclohexylidenemethoxy)ethyl]thiane
SMILESCC(OC=C1CCCCC1)C1CCCSC1
InChIInChI=1S/C14H24OS/c1-12(14-8-5-9-16-11-14)15-10-13-6-3-2-4-7-13/h10,12,14H,2-9,11H2,1H3
InChIKeyQSROUGOPUKHYHK-UHFFFAOYSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(Cyclohexylidenemethoxy)propyl]thiolane
CID 176602921
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiolane
CID 176602956
4-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176603063
4-[2-(Cyclohexylidenemethoxy)ethyl]-4-methylthiane
CID 176603064
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethylthiane
CID 176603603
4-[1-(Cyclohexylidenemethoxy)ethyl]thiane
CID 176603618
2-[1-(Cyclohexylidenemethoxy)ethyl]-1,4-dithiane
CID 176603658
3-[3-(Cyclohexylidenemethoxy)propyl]thiane
CID 176603726
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiane
CID 176603838
4-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603854
4-[3-(Cyclohexylidenemethoxy)propyl]thiane 1-oxide
CID 176603867
3-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176603870

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexylidenemethoxy)ethyl]thiane?
The IUPAC name of 3-[1-(cyclohexylidenemethoxy)ethyl]thiane (CID 176604801) is 3-[1-(cyclohexylidenemethoxy)ethyl]thiane.
What is the SMILES notation for 3-[1-(cyclohexylidenemethoxy)ethyl]thiane?
The canonical SMILES for 3-[1-(cyclohexylidenemethoxy)ethyl]thiane is CC(OC=C1CCCCC1)C1CCCSC1.
What is the InChIKey of 3-[1-(cyclohexylidenemethoxy)ethyl]thiane?
The InChIKey is QSROUGOPUKHYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c1-12(14-8-5-9-16-11-14)15-10-13-6-3-2-4-7-13/h10,12,14H,2-9,11H2,1H3.
What are the key properties of 3-[1-(cyclohexylidenemethoxy)ethyl]thiane?
3-[1-(cyclohexylidenemethoxy)ethyl]thiane has a molecular weight of 240.41 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexylidenemethoxy)ethyl]thiane is sourced from PubChem (CID 176604801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).