2-(cyclopentylidenemethoxymethyl)thiocane

C14H24OS — CID 176604145

IUPAC2-(cyclopentylidenemethoxymethyl)thiocane
SMILESC(OCC1CCCCCCS1)=C1CCCC1
InChIInChI=1S/C14H24OS/c1-2-6-10-16-14(9-3-1)12-15-11-13-7-4-5-8-13/h11,14H,1-10,12H2
InChIKeyCNYRBDPFFXPOFY-UHFFFAOYSA-N
MW240.41 g/mol
LogP4.53
Rot. Bonds3

About 2-(cyclopentylidenemethoxymethyl)thiocane

2-(cyclopentylidenemethoxymethyl)thiocane (PubChem CID 176604145) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)thiocane.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)thiocane
PubChem CID176604145
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name2-(cyclopentylidenemethoxymethyl)thiocane
SMILESC(OCC1CCCCCCS1)=C1CCCC1
InChIInChI=1S/C14H24OS/c1-2-6-10-16-14(9-3-1)12-15-11-13-7-4-5-8-13/h11,14H,1-10,12H2
InChIKeyCNYRBDPFFXPOFY-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 54.53
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-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthiocane
CID 176602953
2-[3-(Cyclohexylidenemethoxy)propyl]thiocane
CID 176603242
2-[2-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176603323
2-(Cyclohexylidenemethoxymethyl)thiocane 1-oxide
CID 176603347
2-[3-(Cyclopentylidenemethoxy)propyl]thiocane 1-oxide
CID 176603359
2-[3-(Cyclopentylidenemethoxy)propyl]thiolane
CID 176603378
2-[3-(2-Methylprop-1-enoxy)propyl]thiocane
CID 176603409
2-(Cyclopentylidenemethoxymethyl)thiocane 1,1-dioxide
CID 176603597
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethylthiocane
CID 176603716
2-[3-(Cyclopentylidenemethoxy)propyl]thiocane 1,1-dioxide
CID 176603857
2-(Cyclopentylidenemethoxymethyl)thiepane
CID 176603893
2-[2-(Cyclopentylidenemethoxy)ethyl]thiane
CID 176603927

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)thiocane?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)thiocane (CID 176604145) is 2-(cyclopentylidenemethoxymethyl)thiocane.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)thiocane?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)thiocane is C(OCC1CCCCCCS1)=C1CCCC1.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)thiocane?
The InChIKey is CNYRBDPFFXPOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c1-2-6-10-16-14(9-3-1)12-15-11-13-7-4-5-8-13/h11,14H,1-10,12H2.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)thiocane?
2-(cyclopentylidenemethoxymethyl)thiocane has a molecular weight of 240.41 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethoxymethyl)thiocane is sourced from PubChem (CID 176604145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).