4-[3-(cyclohexylidenemethoxy)propyl]thiane

C15H26OS — CID 176604448

IUPAC4-[3-(cyclohexylidenemethoxy)propyl]thiane
SMILESC(OCCCC1CCSCC1)=C1CCCCC1
InChIInChI=1S/C15H26OS/c1-2-5-15(6-3-1)13-16-10-4-7-14-8-11-17-12-9-14/h13-14H,1-12H2
InChIKeyQAPLFJYXWWCZQB-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.77
Rot. Bonds5

About 4-[3-(cyclohexylidenemethoxy)propyl]thiane

4-[3-(cyclohexylidenemethoxy)propyl]thiane (PubChem CID 176604448) has the molecular formula C15H26OS and a molecular weight of 254.44 g/mol. Its IUPAC name is 4-[3-(cyclohexylidenemethoxy)propyl]thiane.

Molecular Properties

Compound Name4-[3-(cyclohexylidenemethoxy)propyl]thiane
PubChem CID176604448
Molecular FormulaC15H26OS
Molecular Weight254.44 g/mol
Exact Mass254.17
IUPAC Name4-[3-(cyclohexylidenemethoxy)propyl]thiane
SMILESC(OCCCC1CCSCC1)=C1CCCCC1
InChIInChI=1S/C15H26OS/c1-2-5-15(6-3-1)13-16-10-4-7-14-8-11-17-12-9-14/h13-14H,1-12H2
InChIKeyQAPLFJYXWWCZQB-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 54.77
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-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiolane
CID 176602956
4-[2-(Cyclohexylidenemethoxy)ethyl]-4-methylthiane
CID 176603064
2-[2-(Cyclohexylidenemethoxy)ethyl]-1,4-dithiane
CID 176603107
3-[2-(Cyclohexylidenemethoxy)ethyl]thiolane
CID 176603151
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane
CID 176603227
2-[3-(Cyclohexylidenemethoxy)propyl]-1,4-dithiane
CID 176603296
3-[3-(Cyclohexylidenemethoxy)propyl]thietane
CID 176603362
3-[3-(Cyclohexylidenemethoxy)propyl]thiane 1-oxide
CID 176603457
4-[2-(Cyclopentylidenemethoxy)ethyl]thiane
CID 176603516
4-[3-(Cyclopentylidenemethoxy)propyl]thiane 1-oxide
CID 176603523
4-[2-(Cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603543

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclohexylidenemethoxy)propyl]thiane?
The IUPAC name of 4-[3-(cyclohexylidenemethoxy)propyl]thiane (CID 176604448) is 4-[3-(cyclohexylidenemethoxy)propyl]thiane.
What is the SMILES notation for 4-[3-(cyclohexylidenemethoxy)propyl]thiane?
The canonical SMILES for 4-[3-(cyclohexylidenemethoxy)propyl]thiane is C(OCCCC1CCSCC1)=C1CCCCC1.
What is the InChIKey of 4-[3-(cyclohexylidenemethoxy)propyl]thiane?
The InChIKey is QAPLFJYXWWCZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OS/c1-2-5-15(6-3-1)13-16-10-4-7-14-8-11-17-12-9-14/h13-14H,1-12H2.
What are the key properties of 4-[3-(cyclohexylidenemethoxy)propyl]thiane?
4-[3-(cyclohexylidenemethoxy)propyl]thiane has a molecular weight of 254.44 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclohexylidenemethoxy)propyl]thiane is sourced from PubChem (CID 176604448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).