2-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide

C13H22O2S — CID 176604079

IUPAC2-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide
SMILESCC(OC=C1CCCC1)C1CCCCS1=O
InChIInChI=1S/C13H22O2S/c1-11(13-8-4-5-9-16(13)14)15-10-12-6-2-3-7-12/h10-11,13H,2-9H2,1H3
InChIKeyPODGYLKVJWSIBQ-UHFFFAOYSA-N
MW242.38 g/mol
LogP3.15
Rot. Bonds3

About 2-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide

2-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide (PubChem CID 176604079) has the molecular formula C13H22O2S and a molecular weight of 242.38 g/mol. Its IUPAC name is 2-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide.

Molecular Properties

Compound Name2-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide
PubChem CID176604079
Molecular FormulaC13H22O2S
Molecular Weight242.38 g/mol
Exact Mass242.13
IUPAC Name2-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide
SMILESCC(OC=C1CCCC1)C1CCCCS1=O
InChIInChI=1S/C13H22O2S/c1-11(13-8-4-5-9-16(13)14)15-10-12-6-2-3-7-12/h10-11,13H,2-9H2,1H3
InChIKeyPODGYLKVJWSIBQ-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 53.15
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-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1-oxide
CID 176602954
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide
CID 176602962
2-[1-(Cyclohexylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603009
3-[1-(Cyclopentylidenemethoxy)ethyl]thiane 1,1-dioxide
CID 176603111
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthiane 1-oxide
CID 176603126
2-[1-(2-Methylprop-1-enoxy)ethyl]thiane 1-oxide
CID 176603147
2-[1-(Cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603159
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyl-1,4-dithiane 1,4-dioxide
CID 176603226
2-[2-(Cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide
CID 176603245
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiane 1-oxide
CID 176603284
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiane 1-oxide
CID 176603333
2-[2-(Cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603406

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide?
The IUPAC name of 2-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide (CID 176604079) is 2-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide.
What is the SMILES notation for 2-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide?
The canonical SMILES for 2-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide is CC(OC=C1CCCC1)C1CCCCS1=O.
What is the InChIKey of 2-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide?
The InChIKey is PODGYLKVJWSIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2S/c1-11(13-8-4-5-9-16(13)14)15-10-12-6-2-3-7-12/h10-11,13H,2-9H2,1H3.
What are the key properties of 2-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide?
2-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide has a molecular weight of 242.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentylidenemethoxy)ethyl]thiane 1-oxide is sourced from PubChem (CID 176604079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).