2-(cyclopentylidenemethoxymethyl)thiane

C12H20OS — CID 176604535

IUPAC2-(cyclopentylidenemethoxymethyl)thiane
SMILESC(OCC1CCCCS1)=C1CCCC1
InChIInChI=1S/C12H20OS/c1-2-6-11(5-1)9-13-10-12-7-3-4-8-14-12/h9,12H,1-8,10H2
InChIKeyJPCPAIRDBVPFEB-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.75
Rot. Bonds3

About 2-(cyclopentylidenemethoxymethyl)thiane

2-(cyclopentylidenemethoxymethyl)thiane (PubChem CID 176604535) has the molecular formula C12H20OS and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)thiane.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)thiane
PubChem CID176604535
Molecular FormulaC12H20OS
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name2-(cyclopentylidenemethoxymethyl)thiane
SMILESC(OCC1CCCCS1)=C1CCCC1
InChIInChI=1S/C12H20OS/c1-2-6-11(5-1)9-13-10-12-7-3-4-8-14-12/h9,12H,1-8,10H2
InChIKeyJPCPAIRDBVPFEB-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
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

2-(Cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane
CID 176602957
2-[2-(Cyclohexylidenemethoxy)ethyl]-1,4-dithiane
CID 176603107
4-[3-(Cyclopentylidenemethoxy)propyl]-4-ethylthiane
CID 176603158
4-(Cyclopentylidenemethoxymethyl)thiane
CID 176603291
2-[3-(Cyclohexylidenemethoxy)propyl]-1,4-dithiane
CID 176603296
2-[2-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176603323
2-(Cyclopentylidenemethoxymethyl)-2-ethyl-1,4-dithiane
CID 176603376
2-[3-(Cyclopentylidenemethoxy)propyl]thiolane
CID 176603378
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methyl-1,4-dithiane
CID 176603396
2-[1-(Cyclopentylidenemethoxy)ethyl]thiane
CID 176603422
2-[2-(Cyclopentylidenemethoxy)ethyl]thiane 1-oxide
CID 176603483
4-[2-(Cyclopentylidenemethoxy)ethyl]thiane
CID 176603516

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)thiane?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)thiane (CID 176604535) is 2-(cyclopentylidenemethoxymethyl)thiane.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)thiane?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)thiane is C(OCC1CCCCS1)=C1CCCC1.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)thiane?
The InChIKey is JPCPAIRDBVPFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OS/c1-2-6-11(5-1)9-13-10-12-7-3-4-8-14-12/h9,12H,1-8,10H2.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)thiane?
2-(cyclopentylidenemethoxymethyl)thiane has a molecular weight of 212.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethoxymethyl)thiane is sourced from PubChem (CID 176604535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).