3-(cyclopentylidenemethoxymethyl)-3-methylthietane

C11H18OS — CID 176603708

IUPAC3-(cyclopentylidenemethoxymethyl)-3-methylthietane
SMILESCC1(COC=C2CCCC2)CSC1
InChIInChI=1S/C11H18OS/c1-11(8-13-9-11)7-12-6-10-4-2-3-5-10/h6H,2-5,7-9H2,1H3
InChIKeyKPADGXLLCJSJIV-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.21
Rot. Bonds3

About 3-(cyclopentylidenemethoxymethyl)-3-methylthietane

3-(cyclopentylidenemethoxymethyl)-3-methylthietane (PubChem CID 176603708) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 3-(cyclopentylidenemethoxymethyl)-3-methylthietane.

Molecular Properties

Compound Name3-(cyclopentylidenemethoxymethyl)-3-methylthietane
PubChem CID176603708
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name3-(cyclopentylidenemethoxymethyl)-3-methylthietane
SMILESCC1(COC=C2CCCC2)CSC1
InChIInChI=1S/C11H18OS/c1-11(8-13-9-11)7-12-6-10-4-2-3-5-10/h6H,2-5,7-9H2,1H3
InChIKeyKPADGXLLCJSJIV-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.21
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

4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1-oxide
CID 176605172
4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
CID 176603248
3-(cyclohexylidenemethoxymethyl)-3-methylthiane 1-oxide
CID 176603125
2-(cyclohexylidenemethoxymethyl)-2-methylthiane
CID 176605246
2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide
CID 176604994
2-(cyclohexylidenemethoxymethyl)-2-methylthiolane 1-oxide
CID 176604351
2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1-oxide
CID 176605208
2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1-oxide
CID 176604961
2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane 1,4-dioxide
CID 176604236
3-(cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide
CID 176603703
2-(cyclopentylidenemethoxymethyl)-2-methyl-7-oxabicyclo[2.2.1]heptane
CID 176605288
2-(cyclopentylidenemethoxymethyl)-2-ethyloxepane
CID 176602930

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylidenemethoxymethyl)-3-methylthietane?
The IUPAC name of 3-(cyclopentylidenemethoxymethyl)-3-methylthietane (CID 176603708) is 3-(cyclopentylidenemethoxymethyl)-3-methylthietane.
What is the SMILES notation for 3-(cyclopentylidenemethoxymethyl)-3-methylthietane?
The canonical SMILES for 3-(cyclopentylidenemethoxymethyl)-3-methylthietane is CC1(COC=C2CCCC2)CSC1.
What is the InChIKey of 3-(cyclopentylidenemethoxymethyl)-3-methylthietane?
The InChIKey is KPADGXLLCJSJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-11(8-13-9-11)7-12-6-10-4-2-3-5-10/h6H,2-5,7-9H2,1H3.
What are the key properties of 3-(cyclopentylidenemethoxymethyl)-3-methylthietane?
3-(cyclopentylidenemethoxymethyl)-3-methylthietane has a molecular weight of 198.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylidenemethoxymethyl)-3-methylthietane is sourced from PubChem (CID 176603708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).