3-(cyclohexylidenemethoxymethyl)-3-methylthiane

C14H24OS — CID 176603952

IUPAC3-(cyclohexylidenemethoxymethyl)-3-methylthiane
SMILESCC1(COC=C2CCCCC2)CCCSC1
InChIInChI=1S/C14H24OS/c1-14(8-5-9-16-12-14)11-15-10-13-6-3-2-4-7-13/h10H,2-9,11-12H2,1H3
InChIKeyIAZNBAJHFXYGGX-UHFFFAOYSA-N
MW240.41 g/mol
LogP4.38
Rot. Bonds3

About 3-(cyclohexylidenemethoxymethyl)-3-methylthiane

3-(cyclohexylidenemethoxymethyl)-3-methylthiane (PubChem CID 176603952) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 3-(cyclohexylidenemethoxymethyl)-3-methylthiane.

Molecular Properties

Compound Name3-(cyclohexylidenemethoxymethyl)-3-methylthiane
PubChem CID176603952
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name3-(cyclohexylidenemethoxymethyl)-3-methylthiane
SMILESCC1(COC=C2CCCCC2)CCCSC1
InChIInChI=1S/C14H24OS/c1-14(8-5-9-16-12-14)11-15-10-13-6-3-2-4-7-13/h10H,2-9,11-12H2,1H3
InChIKeyIAZNBAJHFXYGGX-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-Methyl-3-[2-(2-methylprop-1-enoxy)ethyl]thiane
CID 176602919
4-[3-(Cyclohexylidenemethoxy)propyl]-4-ethylthiane 1-oxide
CID 176603053
4-[2-(Cyclohexylidenemethoxy)ethyl]-4-methylthiane
CID 176603064
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
2-[3-(Cyclohexylidenemethoxy)propyl]-1,4-dithiane
CID 176603296
3-Methyl-3-(2-methylprop-1-enoxymethyl)thiane
CID 176603304
3-(Cyclohexylidenemethoxymethyl)-3-ethylthiolane
CID 176603399
3-(Cyclohexylidenemethoxymethyl)-3-ethylthiane 1,1-dioxide
CID 176603550
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethylthiane
CID 176603603

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylidenemethoxymethyl)-3-methylthiane?
The IUPAC name of 3-(cyclohexylidenemethoxymethyl)-3-methylthiane (CID 176603952) is 3-(cyclohexylidenemethoxymethyl)-3-methylthiane.
What is the SMILES notation for 3-(cyclohexylidenemethoxymethyl)-3-methylthiane?
The canonical SMILES for 3-(cyclohexylidenemethoxymethyl)-3-methylthiane is CC1(COC=C2CCCCC2)CCCSC1.
What is the InChIKey of 3-(cyclohexylidenemethoxymethyl)-3-methylthiane?
The InChIKey is IAZNBAJHFXYGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c1-14(8-5-9-16-12-14)11-15-10-13-6-3-2-4-7-13/h10H,2-9,11-12H2,1H3.
What are the key properties of 3-(cyclohexylidenemethoxymethyl)-3-methylthiane?
3-(cyclohexylidenemethoxymethyl)-3-methylthiane 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-(cyclohexylidenemethoxymethyl)-3-methylthiane is sourced from PubChem (CID 176603952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).