2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide

C11H18O3S — CID 176602931

IUPAC2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide
SMILESCC1(CCOC=C2CCCC2)CS1(=O)=O
InChIInChI=1S/C11H18O3S/c1-11(9-15(11,12)13)6-7-14-8-10-4-2-3-5-10/h8H,2-7,9H2,1H3
InChIKeyKORDTRXNAAPUKJ-UHFFFAOYSA-N
MW230.33 g/mol
LogP2.04
Rot. Bonds4

About 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide

2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide (PubChem CID 176602931) has the molecular formula C11H18O3S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide.

Molecular Properties

Compound Name2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide
PubChem CID176602931
Molecular FormulaC11H18O3S
Molecular Weight230.33 g/mol
Exact Mass230.10
IUPAC Name2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide
SMILESCC1(CCOC=C2CCCC2)CS1(=O)=O
InChIInChI=1S/C11H18O3S/c1-11(9-15(11,12)13)6-7-14-8-10-4-2-3-5-10/h8H,2-7,9H2,1H3
InChIKeyKORDTRXNAAPUKJ-UHFFFAOYSA-N
XLogP2.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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]thiirane 1,1-dioxide
CID 176603082
2-[3-(Cyclopentylidenemethoxy)propyl]thiirane 1-oxide
CID 176603130
4-(Cyclopentylidenemethoxymethyl)thiane 1,1-dioxide
CID 176603172
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethylthiirane 1,1-dioxide
CID 176603183
4-(Cyclopentylidenemethoxymethyl)-4-methylthiane 1,1-dioxide
CID 176603248
2-[1-(Cyclopentylidenemethoxy)ethyl]thiirane 1,1-dioxide
CID 176603256
3-[3-(Cyclopentylidenemethoxy)propyl]thietane 1,1-dioxide
CID 176603297
2-(Cyclopentylidenemethoxymethyl)thiirane 1,1-dioxide
CID 176603368
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiirane
CID 176603545
3-(Cyclopentylidenemethoxymethyl)-3-ethylthiolane 1,1-dioxide
CID 176603679
2-(Cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dithiane 1,1,4,4-tetraoxide
CID 176603699
3-(Cyclopentylidenemethoxymethyl)-3-ethylthietane 1,1-dioxide
CID 176603703

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide?
The IUPAC name of 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide (CID 176602931) is 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide.
What is the SMILES notation for 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide?
The canonical SMILES for 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide is CC1(CCOC=C2CCCC2)CS1(=O)=O.
What is the InChIKey of 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide?
The InChIKey is KORDTRXNAAPUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3S/c1-11(9-15(11,12)13)6-7-14-8-10-4-2-3-5-10/h8H,2-7,9H2,1H3.
What are the key properties of 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide?
2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide has a molecular weight of 230.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide is sourced from PubChem (CID 176602931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).