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

C13H22OS — CID 176603352

IUPAC2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiolane
SMILESCC1(CCOC=C2CCCC2)CCCS1
InChIInChI=1S/C13H22OS/c1-13(7-4-10-15-13)8-9-14-11-12-5-2-3-6-12/h11H,2-10H2,1H3
InChIKeyVRZKGGIHSZLOII-UHFFFAOYSA-N
MW226.38 g/mol
LogP4.14
Rot. Bonds4

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

2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiolane (PubChem CID 176603352) has the molecular formula C13H22OS and a molecular weight of 226.38 g/mol. Its IUPAC name is 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiolane.

Molecular Properties

Compound Name2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiolane
PubChem CID176603352
Molecular FormulaC13H22OS
Molecular Weight226.38 g/mol
Exact Mass226.14
IUPAC Name2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiolane
SMILESCC1(CCOC=C2CCCC2)CCCS1
InChIInChI=1S/C13H22OS/c1-13(7-4-10-15-13)8-9-14-11-12-5-2-3-6-12/h11H,2-10H2,1H3
InChIKeyVRZKGGIHSZLOII-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
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-(cyclohexylidenemethoxymethyl)-2-methylthiane
CID 176605246
2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiirane 1-oxide
CID 176605208
2-[2-(cyclohexylidenemethoxy)ethyl]-2-methylthiirane 1,1-dioxide
CID 176605037
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiirane
CID 176605301
4-[3-(cyclohexylidenemethoxy)propyl]-4-ethylthiepane
CID 176604743
3-(cyclopentylidenemethoxymethyl)-3-methylthietane
CID 176603708
2-(cyclohexylidenemethoxymethyl)-2-methylthiolane 1-oxide
CID 176604351
3-[2-(cyclopentylidenemethoxy)ethyl]thietane
CID 176605101
2-(cyclopentylidenemethoxymethyl)-2-methylthiocane 1-oxide
CID 176604961
4-(cyclopentylidenemethoxymethyl)-4-methylthiane 1-oxide
CID 176605172
2-[2-(cyclohexylidenemethoxy)ethyl]thiolane
CID 176604098
2-[3-(cyclohexylidenemethoxy)propyl]-2-ethylthiolane 1,1-dioxide
CID 176604653

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiolane?
The IUPAC name of 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiolane (CID 176603352) is 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiolane.
What is the SMILES notation for 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiolane?
The canonical SMILES for 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiolane is CC1(CCOC=C2CCCC2)CCCS1.
What is the InChIKey of 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiolane?
The InChIKey is VRZKGGIHSZLOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22OS/c1-13(7-4-10-15-13)8-9-14-11-12-5-2-3-6-12/h11H,2-10H2,1H3.
What are the key properties of 2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiolane?
2-[2-(cyclopentylidenemethoxy)ethyl]-2-methylthiolane has a molecular weight of 226.38 g/mol, XLogP of 4.14, 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-methylthiolane is sourced from PubChem (CID 176603352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).