2-(cyclopentylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide

C14H24O3S — CID 176603682

IUPAC2-(cyclopentylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
SMILESCCC1(COC=C2CCCC2)CCCCS1(=O)=O
InChIInChI=1S/C14H24O3S/c1-2-14(9-5-6-10-18(14,15)16)12-17-11-13-7-3-4-8-13/h11H,2-10,12H2,1H3
InChIKeyOKZIMMDKINNUHH-UHFFFAOYSA-N
MW272.41 g/mol
LogP3.21
Rot. Bonds4

About 2-(cyclopentylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide

2-(cyclopentylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide (PubChem CID 176603682) has the molecular formula C14H24O3S and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
PubChem CID176603682
Molecular FormulaC14H24O3S
Molecular Weight272.41 g/mol
Exact Mass272.14
IUPAC Name2-(cyclopentylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
SMILESCCC1(COC=C2CCCC2)CCCCS1(=O)=O
InChIInChI=1S/C14H24O3S/c1-2-14(9-5-6-10-18(14,15)16)12-17-11-13-7-3-4-8-13/h11H,2-10,12H2,1H3
InChIKeyOKZIMMDKINNUHH-UHFFFAOYSA-N
XLogP3.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 53.21
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

2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane 1,1,4,4-tetraoxide
CID 176604727
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiocane 1,1-dioxide
CID 176604257
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiolane 1,1-dioxide
CID 176604653
2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1,1-dioxide
CID 176604994
2-ethyl-2-[[(E)-prop-1-enoxy]methyl]thiane 1,1-dioxide
CID 176603372
3-(cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide
CID 176603703
4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
CID 176603248
2-(cyclopentylidenemethoxymethyl)-2-ethyloxepane
CID 176602930
2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide
CID 176605037
3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthiolane 1,1-dioxide
CID 176603077
2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1-oxide
CID 176604961
4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1-oxide
CID 176605172

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide (CID 176603682) is 2-(cyclopentylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide is CCC1(COC=C2CCCC2)CCCCS1(=O)=O.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide?
The InChIKey is OKZIMMDKINNUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3S/c1-2-14(9-5-6-10-18(14,15)16)12-17-11-13-7-3-4-8-13/h11H,2-10,12H2,1H3.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide?
2-(cyclopentylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide has a molecular weight of 272.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide is sourced from PubChem (CID 176603682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).