2-(3-ethenoxypropyl)thiolane

C9H16OS — CID 176603903

IUPAC2-(3-ethenoxypropyl)thiolane
SMILESC=COCCCC1CCCS1
InChIInChI=1S/C9H16OS/c1-2-10-7-3-5-9-6-4-8-11-9/h2,9H,1,3-8H2
InChIKeyJVKSQTBBUIWXIJ-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.82
Rot. Bonds5

About 2-(3-ethenoxypropyl)thiolane

2-(3-ethenoxypropyl)thiolane (PubChem CID 176603903) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 2-(3-ethenoxypropyl)thiolane.

Molecular Properties

Compound Name2-(3-ethenoxypropyl)thiolane
PubChem CID176603903
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name2-(3-ethenoxypropyl)thiolane
SMILESC=COCCCC1CCCS1
InChIInChI=1S/C9H16OS/c1-2-10-7-3-5-9-6-4-8-11-9/h2,9H,1,3-8H2
InChIKeyJVKSQTBBUIWXIJ-UHFFFAOYSA-N
XLogP2.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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'}

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Related Compounds

2-(3-Methoxypropyl)thiolane
CID 23315791
2,4-Dipentyl-1,3-oxathiolane
CID 67811965
2-Ethyl-5-(methoxymethyl)thiolane
CID 123301145
2-(3-Ethenoxypropyl)thiocane
CID 176603230
2-[3-[(E)-prop-1-enoxy]propyl]thiolane
CID 176603325
2-(3-Ethenoxypropyl)thiane
CID 176603594
2-(3-Ethenoxypropyl)thiolane 1-oxide
CID 176604127
2-(3-Ethenoxypropyl)thiolane 1,1-dioxide
CID 176604129
2-(3-Ethenoxypropyl)-2-ethylthiolane
CID 176604161
2-(2-Ethenoxyethyl)thiolane
CID 176604303
2-(2-Ethenoxyethyl)thiane
CID 176604364
2-(Ethenoxymethyl)thiocane
CID 176604421

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenoxypropyl)thiolane?
The IUPAC name of 2-(3-ethenoxypropyl)thiolane (CID 176603903) is 2-(3-ethenoxypropyl)thiolane.
What is the SMILES notation for 2-(3-ethenoxypropyl)thiolane?
The canonical SMILES for 2-(3-ethenoxypropyl)thiolane is C=COCCCC1CCCS1.
What is the InChIKey of 2-(3-ethenoxypropyl)thiolane?
The InChIKey is JVKSQTBBUIWXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-2-10-7-3-5-9-6-4-8-11-9/h2,9H,1,3-8H2.
What are the key properties of 2-(3-ethenoxypropyl)thiolane?
2-(3-ethenoxypropyl)thiolane has a molecular weight of 172.29 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenoxypropyl)thiolane is sourced from PubChem (CID 176603903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).