2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dithiane

C15H26OS2 — CID 176603667

IUPAC2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dithiane
SMILESCCC1(CCCOC=C2CCCC2)CSCCS1
InChIInChI=1S/C15H26OS2/c1-2-15(13-17-10-11-18-15)8-5-9-16-12-14-6-3-4-7-14/h12H,2-11,13H2,1H3
InChIKeyJWEAMPCLLKDYMU-UHFFFAOYSA-N
MW286.51 g/mol
LogP4.87
Rot. Bonds6

About 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dithiane

2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dithiane (PubChem CID 176603667) has the molecular formula C15H26OS2 and a molecular weight of 286.51 g/mol. Its IUPAC name is 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dithiane.

Molecular Properties

Compound Name2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dithiane
PubChem CID176603667
Molecular FormulaC15H26OS2
Molecular Weight286.51 g/mol
Exact Mass286.14
IUPAC Name2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dithiane
SMILESCCC1(CCCOC=C2CCCC2)CSCCS1
InChIInChI=1S/C15H26OS2/c1-2-15(13-17-10-11-18-15)8-5-9-16-12-14-6-3-4-7-14/h12H,2-11,13H2,1H3
InChIKeyJWEAMPCLLKDYMU-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-[3-(Cyclohexylidenemethoxy)propyl]thiolane
CID 176602921
2-[2-(Cyclohexylidenemethoxy)ethyl]-2-methylthiolane
CID 176602956
2-(Cyclopentylidenemethoxymethyl)-2-methyl-1,4-dithiane
CID 176602957
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-(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
4-(Cyclopentylidenemethoxymethyl)thiane
CID 176603291

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dithiane?
The IUPAC name of 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dithiane (CID 176603667) is 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dithiane.
What is the SMILES notation for 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dithiane?
The canonical SMILES for 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dithiane is CCC1(CCCOC=C2CCCC2)CSCCS1.
What is the InChIKey of 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dithiane?
The InChIKey is JWEAMPCLLKDYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OS2/c1-2-15(13-17-10-11-18-15)8-5-9-16-12-14-6-3-4-7-14/h12H,2-11,13H2,1H3.
What are the key properties of 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dithiane?
2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dithiane has a molecular weight of 286.51 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylidenemethoxy)propyl]-2-ethyl-1,4-dithiane is sourced from PubChem (CID 176603667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).