3-(3-ethenoxypropyl)-3-ethylthiolane

C11H20OS — CID 176604979

IUPAC3-(3-ethenoxypropyl)-3-ethylthiolane
SMILESC=COCCCC1(CC)CCSC1
InChIInChI=1S/C11H20OS/c1-3-11(7-9-13-10-11)6-5-8-12-4-2/h4H,2-3,5-10H2,1H3
InChIKeyDLBKYQXSJPNISU-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.46
Rot. Bonds6

About 3-(3-ethenoxypropyl)-3-ethylthiolane

3-(3-ethenoxypropyl)-3-ethylthiolane (PubChem CID 176604979) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-(3-ethenoxypropyl)-3-ethylthiolane.

Molecular Properties

Compound Name3-(3-ethenoxypropyl)-3-ethylthiolane
PubChem CID176604979
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name3-(3-ethenoxypropyl)-3-ethylthiolane
SMILESC=COCCCC1(CC)CCSC1
InChIInChI=1S/C11H20OS/c1-3-11(7-9-13-10-11)6-5-8-12-4-2/h4H,2-3,5-10H2,1H3
InChIKeyDLBKYQXSJPNISU-UHFFFAOYSA-N
XLogP3.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.46
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-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]thiolane
CID 176602987
2-(2-Ethenoxyethyl)-2-methylthiolane
CID 176603234
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thiolane
CID 176603250
3-(Ethenoxymethyl)-3-ethylthiane
CID 176603344
2-(Ethenoxymethyl)-2-ethylthiolane 1-oxide
CID 176603638
4-(3-Ethenoxypropyl)-4-ethylthiane
CID 176603754
2-(Ethenoxymethyl)-2-ethylthiolane
CID 176603785
3-methyl-3-[2-[(E)-prop-1-enoxy]ethyl]thiolane
CID 176603814
3-(3-Ethenoxypropyl)-3-ethylthiolane 1,1-dioxide
CID 176603899
3-(2-Ethenoxyethyl)-3-methylthiane
CID 176604044
2-Methyl-2-[2-(2-methylprop-1-enoxy)ethyl]thiolane
CID 176604144
2-(3-Ethenoxypropyl)-2-ethylthiolane
CID 176604161

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethenoxypropyl)-3-ethylthiolane?
The IUPAC name of 3-(3-ethenoxypropyl)-3-ethylthiolane (CID 176604979) is 3-(3-ethenoxypropyl)-3-ethylthiolane.
What is the SMILES notation for 3-(3-ethenoxypropyl)-3-ethylthiolane?
The canonical SMILES for 3-(3-ethenoxypropyl)-3-ethylthiolane is C=COCCCC1(CC)CCSC1.
What is the InChIKey of 3-(3-ethenoxypropyl)-3-ethylthiolane?
The InChIKey is DLBKYQXSJPNISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-3-11(7-9-13-10-11)6-5-8-12-4-2/h4H,2-3,5-10H2,1H3.
What are the key properties of 3-(3-ethenoxypropyl)-3-ethylthiolane?
3-(3-ethenoxypropyl)-3-ethylthiolane has a molecular weight of 200.35 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethenoxypropyl)-3-ethylthiolane is sourced from PubChem (CID 176604979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).