3-(cyclohexylidenemethoxymethyl)-3-methylthietane

C12H20OS — CID 176605423

IUPAC3-(cyclohexylidenemethoxymethyl)-3-methylthietane
SMILESCC1(COC=C2CCCCC2)CSC1
InChIInChI=1S/C12H20OS/c1-12(9-14-10-12)8-13-7-11-5-3-2-4-6-11/h7H,2-6,8-10H2,1H3
InChIKeyIZYZVVWGRQHJGK-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.60
Rot. Bonds3

About 3-(cyclohexylidenemethoxymethyl)-3-methylthietane

3-(cyclohexylidenemethoxymethyl)-3-methylthietane (PubChem CID 176605423) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 3-(cyclohexylidenemethoxymethyl)-3-methylthietane.

Molecular Properties

Compound Name3-(cyclohexylidenemethoxymethyl)-3-methylthietane
PubChem CID176605423
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name3-(cyclohexylidenemethoxymethyl)-3-methylthietane
SMILESCC1(COC=C2CCCCC2)CSC1
InChIInChI=1S/C12H20OS/c1-12(9-14-10-12)8-13-7-11-5-3-2-4-6-11/h7H,2-6,8-10H2,1H3
InChIKeyIZYZVVWGRQHJGK-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.60
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

(E)-2-methyl-1-(2-pentylsulfanylethoxy)hex-1-ene
CID 146322694
2-(Cyclohexylidenemethoxymethyl)-2-methylthiirane
CID 176602948
3-[1-(Cyclohexylidenemethoxy)ethyl]thietane
CID 176603095
3-[3-(Cyclohexylidenemethoxy)propyl]thietane
CID 176603362
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiirane
CID 176603466
3-(Cyclohexylidenemethoxymethyl)-3-ethylthietane 1-oxide
CID 176603571
3-[2-(Cyclohexylidenemethoxy)ethyl]thietane
CID 176603629
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiirane
CID 176603687
3-(Cyclopentylidenemethoxymethyl)-3-methylthietane
CID 176603708
3-[2-(Cyclohexylidenemethoxy)ethyl]-3-methylthietane
CID 176604102
3-(Cyclohexylidenemethoxymethyl)-3-methylthietane 1,1-dioxide
CID 176604159
3-(Cyclohexylidenemethoxymethyl)-3-methylthietane 1-oxide
CID 176604215

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylidenemethoxymethyl)-3-methylthietane?
The IUPAC name of 3-(cyclohexylidenemethoxymethyl)-3-methylthietane (CID 176605423) is 3-(cyclohexylidenemethoxymethyl)-3-methylthietane.
What is the SMILES notation for 3-(cyclohexylidenemethoxymethyl)-3-methylthietane?
The canonical SMILES for 3-(cyclohexylidenemethoxymethyl)-3-methylthietane is CC1(COC=C2CCCCC2)CSC1.
What is the InChIKey of 3-(cyclohexylidenemethoxymethyl)-3-methylthietane?
The InChIKey is IZYZVVWGRQHJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-12(9-14-10-12)8-13-7-11-5-3-2-4-6-11/h7H,2-6,8-10H2,1H3.
What are the key properties of 3-(cyclohexylidenemethoxymethyl)-3-methylthietane?
3-(cyclohexylidenemethoxymethyl)-3-methylthietane has a molecular weight of 212.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylidenemethoxymethyl)-3-methylthietane is sourced from PubChem (CID 176605423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).