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

C11H18O2S — CID 176605208

IUPAC2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1-oxide
SMILESCC1(CCOC=C2CCCC2)CS1=O
InChIInChI=1S/C11H18O2S/c1-11(9-14(11)12)6-7-13-8-10-4-2-3-5-10/h8H,2-7,9H2,1H3
InChIKeyMLEUYJGSMGWVEZ-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.37
Rot. Bonds4

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

2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1-oxide (PubChem CID 176605208) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1-oxide.

Molecular Properties

Compound Name2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1-oxide
PubChem CID176605208
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1-oxide
SMILESCC1(CCOC=C2CCCC2)CS1=O
InChIInChI=1S/C11H18O2S/c1-11(9-14(11)12)6-7-13-8-10-4-2-3-5-10/h8H,2-7,9H2,1H3
InChIKeyMLEUYJGSMGWVEZ-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-(cyclohexylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide
CID 176605037
2-(cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane 1,4-dioxide
CID 176604236
2-(cyclohexylidenemethoxymethyl)-2-methylthiolane 1-oxide
CID 176604351
2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1-oxide
CID 176604961
3-(cyclohexylidenemethoxymethyl)-3-methylthiane 1-oxide
CID 176603125
4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1-oxide
CID 176605172
2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiolane
CID 176603352
3-(cyclopentylidenemethoxymethyl)-3-methylthietane
CID 176603708
4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
CID 176603248
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane
CID 176605301
2-(cyclopentylidenemethoxymethyl)thiirane 1-oxide
CID 176603763
3-[3-(cyclohexylidenemethoxy)propyl]-3-ethylthietane 1,1-dioxide
CID 176604138

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1-oxide?
The IUPAC name of 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1-oxide (CID 176605208) is 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1-oxide.
What is the SMILES notation for 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1-oxide?
The canonical SMILES for 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1-oxide is CC1(CCOC=C2CCCC2)CS1=O.
What is the InChIKey of 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1-oxide?
The InChIKey is MLEUYJGSMGWVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c1-11(9-14(11)12)6-7-13-8-10-4-2-3-5-10/h8H,2-7,9H2,1H3.
What are the key properties of 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1-oxide?
2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1-oxide has a molecular weight of 214.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1-oxide is sourced from PubChem (CID 176605208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).