3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthiolane

C15H26OS — CID 176603717

IUPAC3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthiolane
SMILESCCC1(CCCOC=C2CCCC2)CCSC1
InChIInChI=1S/C15H26OS/c1-2-15(9-11-17-13-15)8-5-10-16-12-14-6-3-4-7-14/h12H,2-11,13H2,1H3
InChIKeyKKNZXTCNAVBFCD-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.77
Rot. Bonds6

About 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthiolane

3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthiolane (PubChem CID 176603717) has the molecular formula C15H26OS and a molecular weight of 254.44 g/mol. Its IUPAC name is 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthiolane.

Molecular Properties

Compound Name3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthiolane
PubChem CID176603717
Molecular FormulaC15H26OS
Molecular Weight254.44 g/mol
Exact Mass254.17
IUPAC Name3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthiolane
SMILESCCC1(CCCOC=C2CCCC2)CCSC1
InChIInChI=1S/C15H26OS/c1-2-15(9-11-17-13-15)8-5-10-16-12-14-6-3-4-7-14/h12H,2-11,13H2,1H3
InChIKeyKKNZXTCNAVBFCD-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
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-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane
CID 176603250
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethylthiane
CID 176603254
2-[2-(Cyclopentylidenemethoxy)ethyl]thiolane
CID 176603323
2-[2-(Cyclopentylidenemethoxy)ethyl]-2-methylthiolane
CID 176603352
3-(Cyclohexylidenemethoxymethyl)-3-ethylthiolane
CID 176603399
2-(Cyclopentylidenemethoxymethyl)-2-methyl-7-thiabicyclo[2.2.1]heptane
CID 176603511

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthiolane?
The IUPAC name of 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthiolane (CID 176603717) is 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthiolane.
What is the SMILES notation for 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthiolane?
The canonical SMILES for 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthiolane is CCC1(CCCOC=C2CCCC2)CCSC1.
What is the InChIKey of 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthiolane?
The InChIKey is KKNZXTCNAVBFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26OS/c1-2-15(9-11-17-13-15)8-5-10-16-12-14-6-3-4-7-14/h12H,2-11,13H2,1H3.
What are the key properties of 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthiolane?
3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthiolane has a molecular weight of 254.44 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopentylidenemethoxy)propyl]-3-ethylthiolane is sourced from PubChem (CID 176603717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).