3-[1-(cyclopentylidenemethoxy)ethyl]thiolane

C12H20OS — CID 176603619

IUPAC3-[1-(cyclopentylidenemethoxy)ethyl]thiolane
SMILESCC(OC=C1CCCC1)C1CCSC1
InChIInChI=1S/C12H20OS/c1-10(12-6-7-14-9-12)13-8-11-4-2-3-5-11/h8,10,12H,2-7,9H2,1H3
InChIKeyRGHNXRYCIGFRQT-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.60
Rot. Bonds3

About 3-[1-(cyclopentylidenemethoxy)ethyl]thiolane

3-[1-(cyclopentylidenemethoxy)ethyl]thiolane (PubChem CID 176603619) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 3-[1-(cyclopentylidenemethoxy)ethyl]thiolane.

Molecular Properties

Compound Name3-[1-(cyclopentylidenemethoxy)ethyl]thiolane
PubChem CID176603619
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name3-[1-(cyclopentylidenemethoxy)ethyl]thiolane
SMILESCC(OC=C1CCCC1)C1CCSC1
InChIInChI=1S/C12H20OS/c1-10(12-6-7-14-9-12)13-8-11-4-2-3-5-11/h8,10,12H,2-7,9H2,1H3
InChIKeyRGHNXRYCIGFRQT-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(Cyclopentylidenemethoxy)ethyl]thiolane 1-oxide
CID 176603029
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiolane
CID 176603139
2-[1-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176603175
4-(Cyclopentylidenemethoxymethyl)thiane
CID 176603291
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiolane
CID 176603352
4-[1-(Cyclopentylidenemethoxy)ethyl]thiane 1-oxide
CID 176603563
3-[1-(Cyclopentylidenemethoxy)ethyl]thietane
CID 176603599
2-(Cyclopentylidenemethoxymethyl)thiolane
CID 176603656
3-[1-(2-Methylprop-1-enoxy)ethyl]thiolane
CID 176603869
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthiolane
CID 176603887
4-[1-(Cyclopentylidenemethoxy)ethyl]thiane
CID 176604230
3-[2-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176604273

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentylidenemethoxy)ethyl]thiolane?
The IUPAC name of 3-[1-(cyclopentylidenemethoxy)ethyl]thiolane (CID 176603619) is 3-[1-(cyclopentylidenemethoxy)ethyl]thiolane.
What is the SMILES notation for 3-[1-(cyclopentylidenemethoxy)ethyl]thiolane?
The canonical SMILES for 3-[1-(cyclopentylidenemethoxy)ethyl]thiolane is CC(OC=C1CCCC1)C1CCSC1.
What is the InChIKey of 3-[1-(cyclopentylidenemethoxy)ethyl]thiolane?
The InChIKey is RGHNXRYCIGFRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-10(12-6-7-14-9-12)13-8-11-4-2-3-5-11/h8,10,12H,2-7,9H2,1H3.
What are the key properties of 3-[1-(cyclopentylidenemethoxy)ethyl]thiolane?
3-[1-(cyclopentylidenemethoxy)ethyl]thiolane has a molecular weight of 212.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopentylidenemethoxy)ethyl]thiolane is sourced from PubChem (CID 176603619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).