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

C15H26O3S — CID 176602952

IUPAC2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1,1-dioxide
SMILESCCC1(COC=C2CCCC2)CCCCCS1(=O)=O
InChIInChI=1S/C15H26O3S/c1-2-15(10-6-3-7-11-19(15,16)17)13-18-12-14-8-4-5-9-14/h12H,2-11,13H2,1H3
InChIKeyQREAAMWSXHCHHN-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.60
Rot. Bonds4

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

2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1,1-dioxide (PubChem CID 176602952) has the molecular formula C15H26O3S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1,1-dioxide.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1,1-dioxide
PubChem CID176602952
Molecular FormulaC15H26O3S
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1,1-dioxide
SMILESCCC1(COC=C2CCCC2)CCCCCS1(=O)=O
InChIInChI=1S/C15H26O3S/c1-2-15(10-6-3-7-11-19(15,16)17)13-18-12-14-8-4-5-9-14/h12H,2-11,13H2,1H3
InChIKeyQREAAMWSXHCHHN-UHFFFAOYSA-N
XLogP3.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.60
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-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiolane 1,1-dioxide
CID 176602909
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide
CID 176602962
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiepane 1-oxide
CID 176602985
3-[3-(Cyclopentylidenemethoxy)propyl]thiepane 1,1-dioxide
CID 176603080
2-(Cyclohexylidenemethoxymethyl)-2-ethylthiepane 1-oxide
CID 176603140
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethylthiirane 1,1-dioxide
CID 176603183
3-[2-(Cyclohexylidenemethoxy)ethyl]thiepane 1,1-dioxide
CID 176603208
3-[3-(2-Methylprop-1-enoxy)propyl]thiepane 1-oxide
CID 176603209
3-[2-(Cyclopentylidenemethoxy)ethyl]thiepane 1,1-dioxide
CID 176603218
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiane 1-oxide
CID 176603284
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiane 1-oxide
CID 176603333
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiepane 1-oxide
CID 176603385

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1,1-dioxide?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1,1-dioxide (CID 176602952) is 2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1,1-dioxide.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1,1-dioxide?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1,1-dioxide is CCC1(COC=C2CCCC2)CCCCCS1(=O)=O.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1,1-dioxide?
The InChIKey is QREAAMWSXHCHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3S/c1-2-15(10-6-3-7-11-19(15,16)17)13-18-12-14-8-4-5-9-14/h12H,2-11,13H2,1H3.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1,1-dioxide?
2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1,1-dioxide has a molecular weight of 286.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1,1-dioxide is sourced from PubChem (CID 176602952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).