3-(cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide

C12H20O3S — CID 176603703

IUPAC3-(cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide
SMILESCCC1(COC=C2CCCC2)CS(=O)(=O)C1
InChIInChI=1S/C12H20O3S/c1-2-12(9-16(13,14)10-12)8-15-7-11-5-3-4-6-11/h7H,2-6,8-10H2,1H3
InChIKeyBVJIZQDILGUJBC-UHFFFAOYSA-N
MW244.36 g/mol
LogP2.29
Rot. Bonds4

About 3-(cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide

3-(cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide (PubChem CID 176603703) has the molecular formula C12H20O3S and a molecular weight of 244.36 g/mol. Its IUPAC name is 3-(cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide.

Molecular Properties

Compound Name3-(cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide
PubChem CID176603703
Molecular FormulaC12H20O3S
Molecular Weight244.36 g/mol
Exact Mass244.11
IUPAC Name3-(cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide
SMILESCCC1(COC=C2CCCC2)CS(=O)(=O)C1
InChIInChI=1S/C12H20O3S/c1-2-12(9-16(13,14)10-12)8-15-7-11-5-3-4-6-11/h7H,2-6,8-10H2,1H3
InChIKeyBVJIZQDILGUJBC-UHFFFAOYSA-N
XLogP2.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthietane 1,1-dioxide
CID 176604138
2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane 1,1,4,4-tetraoxide
CID 176604727
3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthiolane 1,1-dioxide
CID 176603077
4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
CID 176603248
2-(cyclopentylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603682
2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide
CID 176604994
2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide
CID 176605037
2-(cyclopentylidenemethoxymethyl)-2-ethyloxepane
CID 176602930
3-(cyclopentylidenemethoxymethyl)-3-methylthietane
CID 176603708
4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1-oxide
CID 176605172
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiocane 1,1-dioxide
CID 176604257
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiolane 1,1-dioxide
CID 176604653

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide?
The IUPAC name of 3-(cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide (CID 176603703) is 3-(cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide.
What is the SMILES notation for 3-(cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide?
The canonical SMILES for 3-(cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide is CCC1(COC=C2CCCC2)CS(=O)(=O)C1.
What is the InChIKey of 3-(cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide?
The InChIKey is BVJIZQDILGUJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3S/c1-2-12(9-16(13,14)10-12)8-15-7-11-5-3-4-6-11/h7H,2-6,8-10H2,1H3.
What are the key properties of 3-(cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide?
3-(cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide has a molecular weight of 244.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide is sourced from PubChem (CID 176603703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).