2-(cyclopentylidenemethoxymethyl)thiirane 1-oxide

C9H14O2S — CID 176603763

IUPAC2-(cyclopentylidenemethoxymethyl)thiirane 1-oxide
SMILESO=S1CC1COC=C1CCCC1
InChIInChI=1S/C9H14O2S/c10-12-7-9(12)6-11-5-8-3-1-2-4-8/h5,9H,1-4,6-7H2
InChIKeyUYNUXYZWANPTLT-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.59
Rot. Bonds3

About 2-(cyclopentylidenemethoxymethyl)thiirane 1-oxide

2-(cyclopentylidenemethoxymethyl)thiirane 1-oxide (PubChem CID 176603763) has the molecular formula C9H14O2S and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)thiirane 1-oxide.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)thiirane 1-oxide
PubChem CID176603763
Molecular FormulaC9H14O2S
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Name2-(cyclopentylidenemethoxymethyl)thiirane 1-oxide
SMILESO=S1CC1COC=C1CCCC1
InChIInChI=1S/C9H14O2S/c10-12-7-9(12)6-11-5-8-3-1-2-4-8/h5,9H,1-4,6-7H2
InChIKeyUYNUXYZWANPTLT-UHFFFAOYSA-N
XLogP1.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide
CID 176603245
3-[2-(cyclohexylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603805
3-[3-(cyclopentylidenemethoxy)propyl]thiane 1-oxide
CID 176605028
3-[3-(cyclopentylidenemethoxy)propyl]thiepane 1-oxide
CID 176604582
2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1-oxide
CID 176605208
4-[3-(cyclohexylidenemethoxy)propyl]thiane 1-oxide
CID 176603867
3-(cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide
CID 176603703
4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1-oxide
CID 176605172
2-(cyclohexylidenemethoxymethyl)-2-ethyl-1,4-dithiane 1,1,4,4-tetraoxide
CID 176604727
2-(cyclohexylidenemethoxymethyl)-2-methylthiolane 1-oxide
CID 176604351
2-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide
CID 176604051
2-(cyclopentylidenemethoxymethyl)-2-ethylthiane 1,1-dioxide
CID 176603682

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)thiirane 1-oxide?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)thiirane 1-oxide (CID 176603763) is 2-(cyclopentylidenemethoxymethyl)thiirane 1-oxide.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)thiirane 1-oxide?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)thiirane 1-oxide is O=S1CC1COC=C1CCCC1.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)thiirane 1-oxide?
The InChIKey is UYNUXYZWANPTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2S/c10-12-7-9(12)6-11-5-8-3-1-2-4-8/h5,9H,1-4,6-7H2.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)thiirane 1-oxide?
2-(cyclopentylidenemethoxymethyl)thiirane 1-oxide has a molecular weight of 186.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethoxymethyl)thiirane 1-oxide is sourced from PubChem (CID 176603763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).