3-(prop-2-enoxymethylsulfanylmethoxy)prop-1-ene

C8H14O2S — CID 87996510

IUPAC3-(prop-2-enoxymethylsulfanylmethoxy)prop-1-ene
SMILESC=CCOCSCOCC=C
InChIInChI=1S/C8H14O2S/c1-3-5-9-7-11-8-10-6-4-2/h3-4H,1-2,5-8H2
InChIKeyZKGRZJPZETYQIP-UHFFFAOYSA-N
MW174.26 g/mol
LogP2.04
Rot. Bonds8

About 3-(prop-2-enoxymethylsulfanylmethoxy)prop-1-ene

3-(prop-2-enoxymethylsulfanylmethoxy)prop-1-ene (PubChem CID 87996510) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 3-(prop-2-enoxymethylsulfanylmethoxy)prop-1-ene.

Molecular Properties

Compound Name3-(prop-2-enoxymethylsulfanylmethoxy)prop-1-ene
PubChem CID87996510
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name3-(prop-2-enoxymethylsulfanylmethoxy)prop-1-ene
SMILESC=CCOCSCOCC=C
InChIInChI=1S/C8H14O2S/c1-3-5-9-7-11-8-10-6-4-2/h3-4H,1-2,5-8H2
InChIKeyZKGRZJPZETYQIP-UHFFFAOYSA-N
XLogP2.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Potassium allyloxide
CID 87828396
azane;3-prop-2-enoxyprop-1-ene;hydrochloride
CID 173111955
2-[1,3-bis(prop-2-enoxy)propan-2-yldisulfanyl]-1,3-bis(prop-2-enoxy)propane
CID 170724372
ethenamine;3-prop-2-enoxyprop-1-ene
CID 174942640
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 58112303
tris(prop-1-ene);3-prop-2-enoxyprop-1-ene
CID 175414947
CID 87625662
CID 87625662
sodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene
CID 173191525
prop-2-enoxymethylsilane
CID 123621119
methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121
2-methylsulfanyl-1-prop-2-enoxypropane
CID 89197901
prop-2-enoxymethyl carbamimidothioate
CID 166606970

Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-enoxymethylsulfanylmethoxy)prop-1-ene?
The IUPAC name of 3-(prop-2-enoxymethylsulfanylmethoxy)prop-1-ene (CID 87996510) is 3-(prop-2-enoxymethylsulfanylmethoxy)prop-1-ene.
What is the SMILES notation for 3-(prop-2-enoxymethylsulfanylmethoxy)prop-1-ene?
The canonical SMILES for 3-(prop-2-enoxymethylsulfanylmethoxy)prop-1-ene is C=CCOCSCOCC=C.
What is the InChIKey of 3-(prop-2-enoxymethylsulfanylmethoxy)prop-1-ene?
The InChIKey is ZKGRZJPZETYQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-3-5-9-7-11-8-10-6-4-2/h3-4H,1-2,5-8H2.
What are the key properties of 3-(prop-2-enoxymethylsulfanylmethoxy)prop-1-ene?
3-(prop-2-enoxymethylsulfanylmethoxy)prop-1-ene has a molecular weight of 174.26 g/mol, XLogP of 2.04, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enoxymethylsulfanylmethoxy)prop-1-ene is sourced from PubChem (CID 87996510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).