1-ethenoxy-3-propylsulfanylpropane

C8H16OS — CID 102248162

IUPAC1-ethenoxy-3-propylsulfanylpropane
SMILESC=COCCCSCCC
InChIInChI=1S/C8H16OS/c1-3-7-10-8-5-6-9-4-2/h4H,2-3,5-8H2,1H3
InChIKeyCAOZPCUNQBGEPA-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.68
Rot. Bonds7

About 1-ethenoxy-3-propylsulfanylpropane

1-ethenoxy-3-propylsulfanylpropane (PubChem CID 102248162) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 1-ethenoxy-3-propylsulfanylpropane.

Molecular Properties

Compound Name1-ethenoxy-3-propylsulfanylpropane
PubChem CID102248162
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name1-ethenoxy-3-propylsulfanylpropane
SMILESC=COCCCSCCC
InChIInChI=1S/C8H16OS/c1-3-7-10-8-5-6-9-4-2/h4H,2-3,5-8H2,1H3
InChIKeyCAOZPCUNQBGEPA-UHFFFAOYSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.68
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

1-(2-ethenoxyethylsulfanyl)heptane
CID 102248160
1,4-bis(ethenoxy)butane;butane
CID 158192522
1-(3-ethenoxypropylsulfanyl)-2,2-dimethylpropane
CID 18539658
1-ethenoxybutane;hydrate
CID 174447139
1-ethenoxytriacontane
CID 14647805
3-ethenoxy-N-(3-ethylsulfanylpropyl)propan-1-amine
CID 116503669
6-propylsulfanylhex-1-ene
CID 23466654
1,16-bis(ethenoxy)hexadecane
CID 19877850
1,9-bis(ethenoxy)nonane
CID 21044784
2-[[4-prop-2-enoxy-6-(3-propylsulfanylpropoxy)-1,3,5-triazin-2-yl]oxy]ethanol
CID 171580699
1-ethenoxy-3-methoxypropane
CID 22058891
1-ethenoxyhexane;hexan-1-amine
CID 88695112

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-3-propylsulfanylpropane?
The IUPAC name of 1-ethenoxy-3-propylsulfanylpropane (CID 102248162) is 1-ethenoxy-3-propylsulfanylpropane.
What is the SMILES notation for 1-ethenoxy-3-propylsulfanylpropane?
The canonical SMILES for 1-ethenoxy-3-propylsulfanylpropane is C=COCCCSCCC.
What is the InChIKey of 1-ethenoxy-3-propylsulfanylpropane?
The InChIKey is CAOZPCUNQBGEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-3-7-10-8-5-6-9-4-2/h4H,2-3,5-8H2,1H3.
What are the key properties of 1-ethenoxy-3-propylsulfanylpropane?
1-ethenoxy-3-propylsulfanylpropane has a molecular weight of 160.28 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-3-propylsulfanylpropane is sourced from PubChem (CID 102248162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).