2-(3-ethenoxypropyl)thiane

C10H18OS — CID 176603594

IUPAC2-(3-ethenoxypropyl)thiane
SMILESC=COCCCC1CCCCS1
InChIInChI=1S/C10H18OS/c1-2-11-8-5-7-10-6-3-4-9-12-10/h2,10H,1,3-9H2
InChIKeyLFLYYMYHRXTWHY-UHFFFAOYSA-N
MW186.32 g/mol
LogP3.21
Rot. Bonds5

About 2-(3-ethenoxypropyl)thiane

2-(3-ethenoxypropyl)thiane (PubChem CID 176603594) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-(3-ethenoxypropyl)thiane.

Molecular Properties

Compound Name2-(3-ethenoxypropyl)thiane
PubChem CID176603594
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name2-(3-ethenoxypropyl)thiane
SMILESC=COCCCC1CCCCS1
InChIInChI=1S/C10H18OS/c1-2-11-8-5-7-10-6-3-4-9-12-10/h2,10H,1,3-9H2
InChIKeyLFLYYMYHRXTWHY-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
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-Ethyl-4-heptyl-1,3-oxathiane
CID 20514291
2-Octyl-4-propyl-1,3-oxathiane
CID 20514294
4-Heptyl-2-methyl-1,3-oxathiane
CID 20514320
2-(3-Methoxypropyl)thiane
CID 23386512
2-Ethyl-6-methoxythiane
CID 175476076
2-(3-Ethenoxypropyl)thiane 1,1-dioxide
CID 176603087
2-(3-Ethenoxypropyl)thiocane
CID 176603230
2-(3-Ethenoxypropyl)-1,4-dithiane
CID 176603259
2-(3-Ethenoxypropyl)thiane 1-oxide
CID 176603382
2-(1-Ethenoxyethyl)thiane
CID 176603431
2-(3-Ethenoxypropyl)thiolane
CID 176603903
2-[3-[(E)-prop-1-enoxy]propyl]thiane
CID 176604162

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenoxypropyl)thiane?
The IUPAC name of 2-(3-ethenoxypropyl)thiane (CID 176603594) is 2-(3-ethenoxypropyl)thiane.
What is the SMILES notation for 2-(3-ethenoxypropyl)thiane?
The canonical SMILES for 2-(3-ethenoxypropyl)thiane is C=COCCCC1CCCCS1.
What is the InChIKey of 2-(3-ethenoxypropyl)thiane?
The InChIKey is LFLYYMYHRXTWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS/c1-2-11-8-5-7-10-6-3-4-9-12-10/h2,10H,1,3-9H2.
What are the key properties of 2-(3-ethenoxypropyl)thiane?
2-(3-ethenoxypropyl)thiane has a molecular weight of 186.32 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenoxypropyl)thiane is sourced from PubChem (CID 176603594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).