2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1-oxide

C15H26O2S — CID 176603515

IUPAC2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1-oxide
SMILESCCC1(COC=C2CCCC2)CCCCCS1=O
InChIInChI=1S/C15H26O2S/c1-2-15(10-6-3-7-11-18(15)16)13-17-12-14-8-4-5-9-14/h12H,2-11,13H2,1H3
InChIKeyWQZUPFFVUMIHBF-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.93
Rot. Bonds4

About 2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1-oxide

2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1-oxide (PubChem CID 176603515) has the molecular formula C15H26O2S and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1-oxide.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1-oxide
PubChem CID176603515
Molecular FormulaC15H26O2S
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1-oxide
SMILESCCC1(COC=C2CCCC2)CCCCCS1=O
InChIInChI=1S/C15H26O2S/c1-2-15(10-6-3-7-11-18(15)16)13-17-12-14-8-4-5-9-14/h12H,2-11,13H2,1H3
InChIKeyWQZUPFFVUMIHBF-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.93
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

2-(Cyclopentylidenemethoxymethyl)-2-ethylthiepane 1,1-dioxide
CID 176602952
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
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
3-[2-(Cyclopentylidenemethoxy)ethyl]thiepane
CID 176603342
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiepane 1-oxide
CID 176603385
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiepane
CID 176603428

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1-oxide?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1-oxide (CID 176603515) is 2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1-oxide.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1-oxide?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1-oxide is CCC1(COC=C2CCCC2)CCCCCS1=O.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1-oxide?
The InChIKey is WQZUPFFVUMIHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2S/c1-2-15(10-6-3-7-11-18(15)16)13-17-12-14-8-4-5-9-14/h12H,2-11,13H2,1H3.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1-oxide?
2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1-oxide has a molecular weight of 270.44 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethoxymethyl)-2-ethylthiepane 1-oxide is sourced from PubChem (CID 176603515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).