4-(3-ethenoxypropyl)thiane

C10H18OS — CID 176604655

IUPAC4-(3-ethenoxypropyl)thiane
SMILESC=COCCCC1CCSCC1
InChIInChI=1S/C10H18OS/c1-2-11-7-3-4-10-5-8-12-9-6-10/h2,10H,1,3-9H2
InChIKeySIVNRQXKPCQMSO-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.07
Rot. Bonds5

About 4-(3-ethenoxypropyl)thiane

4-(3-ethenoxypropyl)thiane (PubChem CID 176604655) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 4-(3-ethenoxypropyl)thiane.

Molecular Properties

Compound Name4-(3-ethenoxypropyl)thiane
PubChem CID176604655
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name4-(3-ethenoxypropyl)thiane
SMILESC=COCCCC1CCSCC1
InChIInChI=1S/C10H18OS/c1-2-11-7-3-4-10-5-8-12-9-6-10/h2,10H,1,3-9H2
InChIKeySIVNRQXKPCQMSO-UHFFFAOYSA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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-Ethyl-4-ethylsulfanyloxane
CID 54391009
3-(Ethenoxymethyl)thiane
CID 176602945
2-(Ethenoxymethyl)-2-ethylthiane
CID 176603135
4-(Ethenoxymethyl)thiane
CID 176603153
2-(3-Ethenoxypropyl)-2-ethyl-1,4-dithiane
CID 176603224
3-[2-(2-Methylprop-1-enoxy)ethyl]thiane
CID 176603227
2-(2-Ethenoxyethyl)-2-methylthiolane
CID 176603234
3-(Ethenoxymethyl)-3-ethylthiane
CID 176603344
3-(3-Ethenoxypropyl)thiane 1-oxide
CID 176603348
2-(Ethenoxymethyl)-2-ethylthiane 1-oxide
CID 176603484
4-(3-Ethenoxypropyl)thiane 1-oxide
CID 176603702
4-[3-(2-Methylprop-1-enoxy)propyl]thiane
CID 176603750

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethenoxypropyl)thiane?
The IUPAC name of 4-(3-ethenoxypropyl)thiane (CID 176604655) is 4-(3-ethenoxypropyl)thiane.
What is the SMILES notation for 4-(3-ethenoxypropyl)thiane?
The canonical SMILES for 4-(3-ethenoxypropyl)thiane is C=COCCCC1CCSCC1.
What is the InChIKey of 4-(3-ethenoxypropyl)thiane?
The InChIKey is SIVNRQXKPCQMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-2-11-7-3-4-10-5-8-12-9-6-10/h2,10H,1,3-9H2.
What are the key properties of 4-(3-ethenoxypropyl)thiane?
4-(3-ethenoxypropyl)thiane has a molecular weight of 186.32 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethenoxypropyl)thiane is sourced from PubChem (CID 176604655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).