3-(cyclopentylidenemethoxymethyl)-3-methylthietane 1-oxide

C11H18O2S — CID 176603593

IUPAC3-(cyclopentylidenemethoxymethyl)-3-methylthietane 1-oxide
SMILESCC1(COC=C2CCCC2)CS(=O)C1
InChIInChI=1S/C11H18O2S/c1-11(8-14(12)9-11)7-13-6-10-4-2-3-5-10/h6H,2-5,7-9H2,1H3
InChIKeyZMUAKBDNPXTJNF-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.23
Rot. Bonds3

About 3-(cyclopentylidenemethoxymethyl)-3-methylthietane 1-oxide

3-(cyclopentylidenemethoxymethyl)-3-methylthietane 1-oxide (PubChem CID 176603593) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-(cyclopentylidenemethoxymethyl)-3-methylthietane 1-oxide.

Molecular Properties

Compound Name3-(cyclopentylidenemethoxymethyl)-3-methylthietane 1-oxide
PubChem CID176603593
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name3-(cyclopentylidenemethoxymethyl)-3-methylthietane 1-oxide
SMILESCC1(COC=C2CCCC2)CS(=O)C1
InChIInChI=1S/C11H18O2S/c1-11(8-14(12)9-11)7-13-6-10-4-2-3-5-10/h6H,2-5,7-9H2,1H3
InChIKeyZMUAKBDNPXTJNF-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.23
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-[2-(Cyclopentylidenemethoxy)ethyl]thietane 1-oxide
CID 176603042
3-(Cyclopentylidenemethoxymethyl)thietane 1,1-dioxide
CID 176603060
3-[1-(Cyclopentylidenemethoxy)ethyl]thietane 1-oxide
CID 176603124
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthietane 1-oxide
CID 176603276
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthietane
CID 176603303
3-Methyl-3-(2-methylprop-1-enoxymethyl)thietane 1-oxide
CID 176603392
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethylthietane 1-oxide
CID 176603580
3-(Cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide
CID 176603703
3-(Cyclopentylidenemethoxymethyl)-3-methylthietane 1,1-dioxide
CID 176603705
3-(Cyclopentylidenemethoxymethyl)-3-methylthietane
CID 176603708
3-(Cyclopentylidenemethoxymethyl)thietane
CID 176603861
3-(Cyclohexylidenemethoxymethyl)-3-methylthietane 1,1-dioxide
CID 176604159

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylidenemethoxymethyl)-3-methylthietane 1-oxide?
The IUPAC name of 3-(cyclopentylidenemethoxymethyl)-3-methylthietane 1-oxide (CID 176603593) is 3-(cyclopentylidenemethoxymethyl)-3-methylthietane 1-oxide.
What is the SMILES notation for 3-(cyclopentylidenemethoxymethyl)-3-methylthietane 1-oxide?
The canonical SMILES for 3-(cyclopentylidenemethoxymethyl)-3-methylthietane 1-oxide is CC1(COC=C2CCCC2)CS(=O)C1.
What is the InChIKey of 3-(cyclopentylidenemethoxymethyl)-3-methylthietane 1-oxide?
The InChIKey is ZMUAKBDNPXTJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c1-11(8-14(12)9-11)7-13-6-10-4-2-3-5-10/h6H,2-5,7-9H2,1H3.
What are the key properties of 3-(cyclopentylidenemethoxymethyl)-3-methylthietane 1-oxide?
3-(cyclopentylidenemethoxymethyl)-3-methylthietane 1-oxide has a molecular weight of 214.33 g/mol, XLogP of 2.23, 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 1-oxide is sourced from PubChem (CID 176603593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).