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

C15H26OS — CID 176603838

IUPAC2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane
SMILESCC1(CCOC=C2CCCCC2)CCCCS1
InChIInChI=1S/C15H26OS/c1-15(9-5-6-12-17-15)10-11-16-13-14-7-3-2-4-8-14/h13H,2-12H2,1H3
InChIKeyAMEPVLKFCZBSML-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.92
Rot. Bonds4

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

2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane (PubChem CID 176603838) has the molecular formula C15H26OS and a molecular weight of 254.44 g/mol. Its IUPAC name is 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane.

Molecular Properties

Compound Name2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane
PubChem CID176603838
Molecular FormulaC15H26OS
Molecular Weight254.44 g/mol
Exact Mass254.17
IUPAC Name2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane
SMILESCC1(CCOC=C2CCCCC2)CCCCS1
InChIInChI=1S/C15H26OS/c1-15(9-5-6-12-17-15)10-11-16-13-14-7-3-2-4-8-14/h13H,2-12H2,1H3
InChIKeyAMEPVLKFCZBSML-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 54.92
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]-3-ethylthiane 1-oxide
CID 176602905
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
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603023
4-[2-(Cyclohexylidenemethoxy)ethyl]-4-methylthiane
CID 176603064
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethylthiocane
CID 176603164
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiocane
CID 176603205
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethylthiane
CID 176603254
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiane 1-oxide
CID 176603333
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiepane
CID 176603428
3-[3-(Cyclohexylidenemethoxy)propyl]thiane 1-oxide
CID 176603457

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane?
The IUPAC name of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane (CID 176603838) is 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane.
What is the SMILES notation for 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane?
The canonical SMILES for 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane is CC1(CCOC=C2CCCCC2)CCCCS1.
What is the InChIKey of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane?
The InChIKey is AMEPVLKFCZBSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OS/c1-15(9-5-6-12-17-15)10-11-16-13-14-7-3-2-4-8-14/h13H,2-12H2,1H3.
What are the key properties of 2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane?
2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiane has a molecular weight of 254.44 g/mol, XLogP of 4.92, 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-methylthiane is sourced from PubChem (CID 176603838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).