2-(3-ethenoxypropyl)-2-ethylthiirane

C9H16OS — CID 176605422

IUPAC2-(3-ethenoxypropyl)-2-ethylthiirane
SMILESC=COCCCC1(CC)CS1
InChIInChI=1S/C9H16OS/c1-3-9(8-11-9)6-5-7-10-4-2/h4H,2-3,5-8H2,1H3
InChIKeyKEWXJFPMHRSKDG-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.82
Rot. Bonds6

About 2-(3-ethenoxypropyl)-2-ethylthiirane

2-(3-ethenoxypropyl)-2-ethylthiirane (PubChem CID 176605422) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 2-(3-ethenoxypropyl)-2-ethylthiirane.

Molecular Properties

Compound Name2-(3-ethenoxypropyl)-2-ethylthiirane
PubChem CID176605422
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name2-(3-ethenoxypropyl)-2-ethylthiirane
SMILESC=COCCCC1(CC)CS1
InChIInChI=1S/C9H16OS/c1-3-9(8-11-9)6-5-7-10-4-2/h4H,2-3,5-8H2,1H3
InChIKeyKEWXJFPMHRSKDG-UHFFFAOYSA-N
XLogP2.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.82
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-Ethyl-2-[3-(2-methylprop-1-enoxy)propyl]thiirane
CID 176603066
2-(Ethenoxymethyl)-2-ethylthiane
CID 176603135
2-(3-Ethenoxypropyl)-2-ethyl-1,4-dithiane
CID 176603224
2-(2-Ethenoxyethyl)-2-methylthiolane
CID 176603234
2-(Ethenoxymethyl)-2-ethylthiolane
CID 176603785
2-(Ethenoxymethyl)-2-methylthiane
CID 176604457
3-(3-Ethenoxypropyl)-3-ethylthietane
CID 176604554
2-(3-Ethenoxypropyl)-2-ethylthiirane 1-oxide
CID 176605090
2-(3-Ethenoxypropyl)-2-ethylthiirane 1,1-dioxide
CID 176605217
2-ethyl-2-[3-[(E)-prop-1-enoxy]propyl]thiirane
CID 176605333

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenoxypropyl)-2-ethylthiirane?
The IUPAC name of 2-(3-ethenoxypropyl)-2-ethylthiirane (CID 176605422) is 2-(3-ethenoxypropyl)-2-ethylthiirane.
What is the SMILES notation for 2-(3-ethenoxypropyl)-2-ethylthiirane?
The canonical SMILES for 2-(3-ethenoxypropyl)-2-ethylthiirane is C=COCCCC1(CC)CS1.
What is the InChIKey of 2-(3-ethenoxypropyl)-2-ethylthiirane?
The InChIKey is KEWXJFPMHRSKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-3-9(8-11-9)6-5-7-10-4-2/h4H,2-3,5-8H2,1H3.
What are the key properties of 2-(3-ethenoxypropyl)-2-ethylthiirane?
2-(3-ethenoxypropyl)-2-ethylthiirane has a molecular weight of 172.29 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenoxypropyl)-2-ethylthiirane is sourced from PubChem (CID 176605422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).