2-(cyclopentylidenemethoxymethyl)-2-ethylthiane

C14H24OS — CID 176604314

IUPAC2-(cyclopentylidenemethoxymethyl)-2-ethylthiane
SMILESCCC1(COC=C2CCCC2)CCCCS1
InChIInChI=1S/C14H24OS/c1-2-14(9-5-6-10-16-14)12-15-11-13-7-3-4-8-13/h11H,2-10,12H2,1H3
InChIKeyDQFDKWHSSRFZFT-UHFFFAOYSA-N
MW240.41 g/mol
LogP4.53
Rot. Bonds4

About 2-(cyclopentylidenemethoxymethyl)-2-ethylthiane

2-(cyclopentylidenemethoxymethyl)-2-ethylthiane (PubChem CID 176604314) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 2-(cyclopentylidenemethoxymethyl)-2-ethylthiane.

Molecular Properties

Compound Name2-(cyclopentylidenemethoxymethyl)-2-ethylthiane
PubChem CID176604314
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name2-(cyclopentylidenemethoxymethyl)-2-ethylthiane
SMILESCCC1(COC=C2CCCC2)CCCCS1
InChIInChI=1S/C14H24OS/c1-2-14(9-5-6-10-16-14)12-15-11-13-7-3-4-8-13/h11H,2-10,12H2,1H3
InChIKeyDQFDKWHSSRFZFT-UHFFFAOYSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-[3-(Cyclohexylidenemethoxy)propyl]thiolane
CID 176602921
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiolane
CID 176602956
2-[3-(Cyclopentylidenemethoxy)propyl]-2-ethylthiane 1-oxide
CID 176602962
3-[2-(Cyclopentylidenemethoxy)ethyl]-3-methylthiane 1-oxide
CID 176603126
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiolane
CID 176603139
4-[3-(Cyclopentylidenemethoxy)propyl]-4-ethylthiane
CID 176603158
3-[3-(Cyclohexylidenemethoxy)propyl]-3-ethylthiolane
CID 176603177
3-[1-(Cyclopentylidenemethoxy)ethyl]thiepane
CID 176603207
3-(Cyclopentylidenemethoxymethyl)-3-ethylthiane 1-oxide
CID 176603214
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane
CID 176603227
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethylthiane
CID 176603254
2-(Cyclopentylidenemethoxymethyl)-2-ethylthiane 1-oxide
CID 176603284

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiane?
The IUPAC name of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiane (CID 176604314) is 2-(cyclopentylidenemethoxymethyl)-2-ethylthiane.
What is the SMILES notation for 2-(cyclopentylidenemethoxymethyl)-2-ethylthiane?
The canonical SMILES for 2-(cyclopentylidenemethoxymethyl)-2-ethylthiane is CCC1(COC=C2CCCC2)CCCCS1.
What is the InChIKey of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiane?
The InChIKey is DQFDKWHSSRFZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c1-2-14(9-5-6-10-16-14)12-15-11-13-7-3-4-8-13/h11H,2-10,12H2,1H3.
What are the key properties of 2-(cyclopentylidenemethoxymethyl)-2-ethylthiane?
2-(cyclopentylidenemethoxymethyl)-2-ethylthiane has a molecular weight of 240.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylidenemethoxymethyl)-2-ethylthiane is sourced from PubChem (CID 176604314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).