2-[3-(cyclopentylidenemethoxy)propyl]thiirane 1-oxide

C11H18O2S — CID 176603130

IUPAC2-[3-(cyclopentylidenemethoxy)propyl]thiirane 1-oxide
SMILESO=S1CC1CCCOC=C1CCCC1
InChIInChI=1S/C11H18O2S/c12-14-9-11(14)6-3-7-13-8-10-4-1-2-5-10/h8,11H,1-7,9H2
InChIKeyPDEBVGPWEASSMF-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.37
Rot. Bonds5

About 2-[3-(cyclopentylidenemethoxy)propyl]thiirane 1-oxide

2-[3-(cyclopentylidenemethoxy)propyl]thiirane 1-oxide (PubChem CID 176603130) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-[3-(cyclopentylidenemethoxy)propyl]thiirane 1-oxide.

Molecular Properties

Compound Name2-[3-(cyclopentylidenemethoxy)propyl]thiirane 1-oxide
PubChem CID176603130
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name2-[3-(cyclopentylidenemethoxy)propyl]thiirane 1-oxide
SMILESO=S1CC1CCCOC=C1CCCC1
InChIInChI=1S/C11H18O2S/c12-14-9-11(14)6-3-7-13-8-10-4-1-2-5-10/h8,11H,1-7,9H2
InChIKeyPDEBVGPWEASSMF-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide
CID 176602931
3-[2-(Cyclopentylidenemethoxy)ethyl]thietane 1-oxide
CID 176603042
2-[2-(Cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide
CID 176603082
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethylthiirane 1,1-dioxide
CID 176603183
2-[2-(Cyclopentylidenemethoxy)ethyl]-1,4-dithiane 1,4-dioxide
CID 176603245
2-[1-(Cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide
CID 176603256
2-(Cyclopentylidenemethoxymethyl)thiirane 1,1-dioxide
CID 176603368
2-[3-(Cyclohexylidenemethoxy)propyl]thiirane 1,1-dioxide
CID 176603496
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiirane
CID 176603545
2-(Cyclopentylidenemethoxymethyl)thiirane 1-oxide
CID 176603763
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiirane
CID 176603836
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethylthiirane 1-oxide
CID 176603894

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]thiirane 1-oxide?
The IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]thiirane 1-oxide (CID 176603130) is 2-[3-(cyclopentylidenemethoxy)propyl]thiirane 1-oxide.
What is the SMILES notation for 2-[3-(cyclopentylidenemethoxy)propyl]thiirane 1-oxide?
The canonical SMILES for 2-[3-(cyclopentylidenemethoxy)propyl]thiirane 1-oxide is O=S1CC1CCCOC=C1CCCC1.
What is the InChIKey of 2-[3-(cyclopentylidenemethoxy)propyl]thiirane 1-oxide?
The InChIKey is PDEBVGPWEASSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c12-14-9-11(14)6-3-7-13-8-10-4-1-2-5-10/h8,11H,1-7,9H2.
What are the key properties of 2-[3-(cyclopentylidenemethoxy)propyl]thiirane 1-oxide?
2-[3-(cyclopentylidenemethoxy)propyl]thiirane 1-oxide has a molecular weight of 214.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylidenemethoxy)propyl]thiirane 1-oxide is sourced from PubChem (CID 176603130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).