3-(3-ethenoxypropyl)-3-ethylthietane

C10H18OS — CID 176604554

IUPAC3-(3-ethenoxypropyl)-3-ethylthietane
SMILESC=COCCCC1(CC)CSC1
InChIInChI=1S/C10H18OS/c1-3-10(8-12-9-10)6-5-7-11-4-2/h4H,2-3,5-9H2,1H3
InChIKeyGFDIVWDAABFHRM-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.07
Rot. Bonds6

About 3-(3-ethenoxypropyl)-3-ethylthietane

3-(3-ethenoxypropyl)-3-ethylthietane (PubChem CID 176604554) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 3-(3-ethenoxypropyl)-3-ethylthietane.

Molecular Properties

Compound Name3-(3-ethenoxypropyl)-3-ethylthietane
PubChem CID176604554
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name3-(3-ethenoxypropyl)-3-ethylthietane
SMILESC=COCCCC1(CC)CSC1
InChIInChI=1S/C10H18OS/c1-3-10(8-12-9-10)6-5-7-11-4-2/h4H,2-3,5-9H2,1H3
InChIKeyGFDIVWDAABFHRM-UHFFFAOYSA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 53.07
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-(Ethenoxymethyl)-3-ethylthiane
CID 176603344
4-(3-Ethenoxypropyl)-4-ethylthiane
CID 176603754
3-ethyl-3-[3-[(E)-prop-1-enoxy]propyl]thietane
CID 176603937
3-(2-Ethenoxyethyl)-3-methylthiane
CID 176604044
3-Ethyl-3-[3-(2-methylprop-1-enoxy)propyl]thietane
CID 176604319
3-(3-Ethenoxypropyl)-3-ethylthietane 1-oxide
CID 176604368
3-(Ethenoxymethyl)-3-methylthiepane
CID 176604372
4-(3-Ethenoxypropyl)-4-ethylthiepane
CID 176604602
3-(3-Ethenoxypropyl)-3-ethylthiane
CID 176604697
3-(3-Ethenoxypropyl)-3-ethylthietane 1,1-dioxide
CID 176604955
3-(3-Ethenoxypropyl)-3-ethylthiolane
CID 176604979
2-(3-Ethenoxypropyl)-2-ethylthiirane
CID 176605422

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethenoxypropyl)-3-ethylthietane?
The IUPAC name of 3-(3-ethenoxypropyl)-3-ethylthietane (CID 176604554) is 3-(3-ethenoxypropyl)-3-ethylthietane.
What is the SMILES notation for 3-(3-ethenoxypropyl)-3-ethylthietane?
The canonical SMILES for 3-(3-ethenoxypropyl)-3-ethylthietane is C=COCCCC1(CC)CSC1.
What is the InChIKey of 3-(3-ethenoxypropyl)-3-ethylthietane?
The InChIKey is GFDIVWDAABFHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-3-10(8-12-9-10)6-5-7-11-4-2/h4H,2-3,5-9H2,1H3.
What are the key properties of 3-(3-ethenoxypropyl)-3-ethylthietane?
3-(3-ethenoxypropyl)-3-ethylthietane has a molecular weight of 186.32 g/mol, XLogP of 3.07, 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-ethylthietane is sourced from PubChem (CID 176604554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).