3-[3-(cyclohexylidenemethoxy)propyl]thiane

C15H26OS — CID 176603726

IUPAC3-[3-(cyclohexylidenemethoxy)propyl]thiane
SMILESC(OCCCC1CCCSC1)=C1CCCCC1
InChIInChI=1S/C15H26OS/c1-2-6-14(7-3-1)12-16-10-4-8-15-9-5-11-17-13-15/h12,15H,1-11,13H2
InChIKeyYDDOLUSWZCBHQU-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.77
Rot. Bonds5

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

3-[3-(cyclohexylidenemethoxy)propyl]thiane (PubChem CID 176603726) has the molecular formula C15H26OS and a molecular weight of 254.44 g/mol. Its IUPAC name is 3-[3-(cyclohexylidenemethoxy)propyl]thiane.

Molecular Properties

Compound Name3-[3-(cyclohexylidenemethoxy)propyl]thiane
PubChem CID176603726
Molecular FormulaC15H26OS
Molecular Weight254.44 g/mol
Exact Mass254.17
IUPAC Name3-[3-(cyclohexylidenemethoxy)propyl]thiane
SMILESC(OCCCC1CCCSC1)=C1CCCCC1
InChIInChI=1S/C15H26OS/c1-2-6-14(7-3-1)12-16-10-4-8-15-9-5-11-17-13-15/h12,15H,1-11,13H2
InChIKeyYDDOLUSWZCBHQU-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

2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethylthiane 1-oxide
CID 176602911
3-[3-(Cyclohexylidenemethoxy)propyl]thiolane
CID 176602921
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiolane
CID 176602956
4-[2-(Cyclohexylidenemethoxy)ethyl]-4-methylthiane
CID 176603064
3-[2-(Cyclohexylidenemethoxy)ethyl]thiocane
CID 176603152
3-[2-(Cyclopentylidenemethoxy)ethyl]thiepane
CID 176603342
3-[3-(Cyclohexylidenemethoxy)propyl]thiane 1-oxide
CID 176603457
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiane 1,1-dioxide
CID 176603573
2-(Cyclohexylidenemethoxymethyl)-2-methylthiepane
CID 176603574
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethylthiane
CID 176603603
4-[1-(Cyclohexylidenemethoxy)ethyl]thiane
CID 176603618
2-[2-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176603620

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclohexylidenemethoxy)propyl]thiane?
The IUPAC name of 3-[3-(cyclohexylidenemethoxy)propyl]thiane (CID 176603726) is 3-[3-(cyclohexylidenemethoxy)propyl]thiane.
What is the SMILES notation for 3-[3-(cyclohexylidenemethoxy)propyl]thiane?
The canonical SMILES for 3-[3-(cyclohexylidenemethoxy)propyl]thiane is C(OCCCC1CCCSC1)=C1CCCCC1.
What is the InChIKey of 3-[3-(cyclohexylidenemethoxy)propyl]thiane?
The InChIKey is YDDOLUSWZCBHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OS/c1-2-6-14(7-3-1)12-16-10-4-8-15-9-5-11-17-13-15/h12,15H,1-11,13H2.
What are the key properties of 3-[3-(cyclohexylidenemethoxy)propyl]thiane?
3-[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 3-[3-(cyclohexylidenemethoxy)propyl]thiane is sourced from PubChem (CID 176603726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).