2-(cyclohexylidenemethoxymethyl)-2-methylthiocane

C16H28OS — CID 176603540

IUPAC2-(cyclohexylidenemethoxymethyl)-2-methylthiocane
SMILESCC1(COC=C2CCCCC2)CCCCCCS1
InChIInChI=1S/C16H28OS/c1-16(11-7-2-3-8-12-18-16)14-17-13-15-9-5-4-6-10-15/h13H,2-12,14H2,1H3
InChIKeyVNVBMTZVIMXLQQ-UHFFFAOYSA-N
MW268.47 g/mol
LogP5.31
Rot. Bonds3

About 2-(cyclohexylidenemethoxymethyl)-2-methylthiocane

2-(cyclohexylidenemethoxymethyl)-2-methylthiocane (PubChem CID 176603540) has the molecular formula C16H28OS and a molecular weight of 268.47 g/mol. Its IUPAC name is 2-(cyclohexylidenemethoxymethyl)-2-methylthiocane.

Molecular Properties

Compound Name2-(cyclohexylidenemethoxymethyl)-2-methylthiocane
PubChem CID176603540
Molecular FormulaC16H28OS
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name2-(cyclohexylidenemethoxymethyl)-2-methylthiocane
SMILESCC1(COC=C2CCCCC2)CCCCCCS1
InChIInChI=1S/C16H28OS/c1-16(11-7-2-3-8-12-18-16)14-17-13-15-9-5-4-6-10-15/h13H,2-12,14H2,1H3
InChIKeyVNVBMTZVIMXLQQ-UHFFFAOYSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.47
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-(cyclohexylidenemethoxymethyl)-2-methylthiocane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-Methoxy-2-methyl-1-(5-methyl-4-methylidenehexyl)sulfanyldodecane
CID 170226930
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthiocane
CID 176602953
3-[2-(Cyclohexylidenemethoxy)ethyl]thiocane 1,1-dioxide
CID 176603094
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiepane 1-oxide
CID 176603140
3-[2-(Cyclohexylidenemethoxy)ethyl]thiocane
CID 176603152
2-[3-(Cyclohexylidenemethoxy)propyl]-2-ethylthiocane
CID 176603164
3-[2-(Cyclohexylidenemethoxy)ethyl]thiocane 1-oxide
CID 176603176
2-(Cyclohexylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide
CID 176603181
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiocane
CID 176603205
2-[3-(Cyclohexylidenemethoxy)propyl]thiocane
CID 176603242
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthiocane
CID 176603251
2-(Cyclohexylidenemethoxymethyl)-2-methylthiocane 1-oxide
CID 176603360

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-methylthiocane?
The IUPAC name of 2-(cyclohexylidenemethoxymethyl)-2-methylthiocane (CID 176603540) is 2-(cyclohexylidenemethoxymethyl)-2-methylthiocane.
What is the SMILES notation for 2-(cyclohexylidenemethoxymethyl)-2-methylthiocane?
The canonical SMILES for 2-(cyclohexylidenemethoxymethyl)-2-methylthiocane is CC1(COC=C2CCCCC2)CCCCCCS1.
What is the InChIKey of 2-(cyclohexylidenemethoxymethyl)-2-methylthiocane?
The InChIKey is VNVBMTZVIMXLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28OS/c1-16(11-7-2-3-8-12-18-16)14-17-13-15-9-5-4-6-10-15/h13H,2-12,14H2,1H3.
What are the key properties of 2-(cyclohexylidenemethoxymethyl)-2-methylthiocane?
2-(cyclohexylidenemethoxymethyl)-2-methylthiocane has a molecular weight of 268.47 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethoxymethyl)-2-methylthiocane is sourced from PubChem (CID 176603540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).