4-[2-(cyclohexylidenemethoxy)ethyl]-4-methylthiane

C15H26OS — CID 176603064

IUPAC4-[2-(cyclohexylidenemethoxy)ethyl]-4-methylthiane
SMILESCC1(CCOC=C2CCCCC2)CCSCC1
InChIInChI=1S/C15H26OS/c1-15(8-11-17-12-9-15)7-10-16-13-14-5-3-2-4-6-14/h13H,2-12H2,1H3
InChIKeyRAVKVDFHCVRVFN-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.77
Rot. Bonds4

About 4-[2-(cyclohexylidenemethoxy)ethyl]-4-methylthiane

4-[2-(cyclohexylidenemethoxy)ethyl]-4-methylthiane (PubChem CID 176603064) has the molecular formula C15H26OS and a molecular weight of 254.44 g/mol. Its IUPAC name is 4-[2-(cyclohexylidenemethoxy)ethyl]-4-methylthiane.

Molecular Properties

Compound Name4-[2-(cyclohexylidenemethoxy)ethyl]-4-methylthiane
PubChem CID176603064
Molecular FormulaC15H26OS
Molecular Weight254.44 g/mol
Exact Mass254.17
IUPAC Name4-[2-(cyclohexylidenemethoxy)ethyl]-4-methylthiane
SMILESCC1(CCOC=C2CCCCC2)CCSCC1
InChIInChI=1S/C15H26OS/c1-15(8-11-17-12-9-15)7-10-16-13-14-5-3-2-4-6-14/h13H,2-12H2,1H3
InChIKeyRAVKVDFHCVRVFN-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
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-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thiane
CID 176602919
4-Methyl-4-[2-(2-methylprop-1-enoxy)ethyl]thiane
CID 176602960
4-(Cyclohexylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
CID 176602986
4-Ethyl-4-(2-methylprop-1-enoxymethyl)thiane
CID 176603000
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide
CID 176603053
2-[2-(Cyclohexylidenemethoxy)ethyl]-1,4-dithiane
CID 176603107
3-(Cyclohexylidenemethoxymethyl)-3-methylthiane 1-oxide
CID 176603125
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
2-[3-(Cyclohexylidenemethoxy)propyl]-1,4-dithiane
CID 176603296
4-(Cyclohexylidenemethoxymethyl)-4-ethylthiane 1,1-dioxide
CID 176603353

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexylidenemethoxy)ethyl]-4-methylthiane?
The IUPAC name of 4-[2-(cyclohexylidenemethoxy)ethyl]-4-methylthiane (CID 176603064) is 4-[2-(cyclohexylidenemethoxy)ethyl]-4-methylthiane.
What is the SMILES notation for 4-[2-(cyclohexylidenemethoxy)ethyl]-4-methylthiane?
The canonical SMILES for 4-[2-(cyclohexylidenemethoxy)ethyl]-4-methylthiane is CC1(CCOC=C2CCCCC2)CCSCC1.
What is the InChIKey of 4-[2-(cyclohexylidenemethoxy)ethyl]-4-methylthiane?
The InChIKey is RAVKVDFHCVRVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OS/c1-15(8-11-17-12-9-15)7-10-16-13-14-5-3-2-4-6-14/h13H,2-12H2,1H3.
What are the key properties of 4-[2-(cyclohexylidenemethoxy)ethyl]-4-methylthiane?
4-[2-(cyclohexylidenemethoxy)ethyl]-4-methylthiane has a molecular weight of 254.44 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexylidenemethoxy)ethyl]-4-methylthiane is sourced from PubChem (CID 176603064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).