3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthiolane

C13H22OS — CID 176603887

IUPAC3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthiolane
SMILESCC1(CCOC=C2CCCC2)CCSC1
InChIInChI=1S/C13H22OS/c1-13(7-9-15-11-13)6-8-14-10-12-4-2-3-5-12/h10H,2-9,11H2,1H3
InChIKeyMYWPABOEHSOVPV-UHFFFAOYSA-N
MW226.38 g/mol
LogP3.99
Rot. Bonds4

About 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthiolane

3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthiolane (PubChem CID 176603887) has the molecular formula C13H22OS and a molecular weight of 226.38 g/mol. Its IUPAC name is 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthiolane.

Molecular Properties

Compound Name3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthiolane
PubChem CID176603887
Molecular FormulaC13H22OS
Molecular Weight226.38 g/mol
Exact Mass226.14
IUPAC Name3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthiolane
SMILESCC1(CCOC=C2CCCC2)CCSC1
InChIInChI=1S/C13H22OS/c1-13(7-9-15-11-13)6-8-14-10-12-4-2-3-5-12/h10H,2-9,11H2,1H3
InChIKeyMYWPABOEHSOVPV-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.38
LogP ≤ 53.99
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'}

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Related Compounds

2-(Cyclopentylidenemethoxymethyl)-2-ethylthiolane
CID 176603139
4-[3-(Cyclopentylidenemethoxy)propyl]-4-ethylthiane
CID 176603158
2-[1-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176603175
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthiolane
CID 176603177
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthietane
CID 176603303
2-[2-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176603323
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiolane
CID 176603352
3-(Cyclohexylidenemethoxymethyl)-3-ethylthiolane
CID 176603399
3-[1-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176603619
2-(Cyclopentylidenemethoxymethyl)thiolane
CID 176603656
3-(Cyclopentylidenemethoxymethyl)-3-ethylthiolane 1,1-dioxide
CID 176603679
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethylthiolane
CID 176603717

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthiolane?
The IUPAC name of 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthiolane (CID 176603887) is 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthiolane.
What is the SMILES notation for 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthiolane?
The canonical SMILES for 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthiolane is CC1(CCOC=C2CCCC2)CCSC1.
What is the InChIKey of 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthiolane?
The InChIKey is MYWPABOEHSOVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OS/c1-13(7-9-15-11-13)6-8-14-10-12-4-2-3-5-12/h10H,2-9,11H2,1H3.
What are the key properties of 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthiolane?
3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthiolane has a molecular weight of 226.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylidenemethoxy)ethyl]-3-methylthiolane is sourced from PubChem (CID 176603887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).