acetyloxymethylsulfanylmethoxymethylsulfanylmethyl acetate

C8H14O5S2 — CID 19748395

IUPACacetyloxymethylsulfanylmethoxymethylsulfanylmethyl acetate
SMILESCC(=O)OCSCOCSCOC(C)=O
InChIInChI=1S/C8H14O5S2/c1-7(9)12-5-14-3-11-4-15-6-13-8(2)10/h3-6H2,1-2H3
InChIKeyUYZUZNGAVJUFEH-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.43
Rot. Bonds8

About acetyloxymethylsulfanylmethoxymethylsulfanylmethyl acetate

acetyloxymethylsulfanylmethoxymethylsulfanylmethyl acetate (PubChem CID 19748395) has the molecular formula C8H14O5S2 and a molecular weight of 254.33 g/mol. Its IUPAC name is acetyloxymethylsulfanylmethoxymethylsulfanylmethyl acetate.

Molecular Properties

Compound Nameacetyloxymethylsulfanylmethoxymethylsulfanylmethyl acetate
PubChem CID19748395
Molecular FormulaC8H14O5S2
Molecular Weight254.33 g/mol
Exact Mass254.03
IUPAC Nameacetyloxymethylsulfanylmethoxymethylsulfanylmethyl acetate
SMILESCC(=O)OCSCOCSCOC(C)=O
InChIInChI=1S/C8H14O5S2/c1-7(9)12-5-14-3-11-4-15-6-13-8(2)10/h3-6H2,1-2H3
InChIKeyUYZUZNGAVJUFEH-UHFFFAOYSA-N
XLogP1.43
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

chloromethylsulfanylmethyl acetate
CID 15354423
(4-acetyloxy-2,3-dioxobutyl) acetate
CID 10679601
methylcarbamoyloxymethylsulfanylmethyl N-methylcarbamate
CID 175278368
methanol;2-oxopropyl acetate
CID 174729097
2-oxopropyl acetate;bis(vanadium)
CID 175077929
ethyl acetate;propane-1,2,3-triol
CID 23448368
acetyloxymethyl acetate;azane
CID 172795061
bis(acetyloxymethyl) propanedioate
CID 59124845
bis(2-acetyloxyacetic acid);palladium
CID 156697217
ethyl acetate;bis(propan-2-ol)
CID 87186921
ethoxyethane;ethyl acetate
CID 87087849
bis((2-oxo-2-propan-2-ylperoxyethyl) acetate);titanium
CID 158036087

Frequently Asked Questions

What is the IUPAC name of acetyloxymethylsulfanylmethoxymethylsulfanylmethyl acetate?
The IUPAC name of acetyloxymethylsulfanylmethoxymethylsulfanylmethyl acetate (CID 19748395) is acetyloxymethylsulfanylmethoxymethylsulfanylmethyl acetate.
What is the SMILES notation for acetyloxymethylsulfanylmethoxymethylsulfanylmethyl acetate?
The canonical SMILES for acetyloxymethylsulfanylmethoxymethylsulfanylmethyl acetate is CC(=O)OCSCOCSCOC(C)=O.
What is the InChIKey of acetyloxymethylsulfanylmethoxymethylsulfanylmethyl acetate?
The InChIKey is UYZUZNGAVJUFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O5S2/c1-7(9)12-5-14-3-11-4-15-6-13-8(2)10/h3-6H2,1-2H3.
What are the key properties of acetyloxymethylsulfanylmethoxymethylsulfanylmethyl acetate?
acetyloxymethylsulfanylmethoxymethylsulfanylmethyl acetate has a molecular weight of 254.33 g/mol, XLogP of 1.43, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxymethylsulfanylmethoxymethylsulfanylmethyl acetate is sourced from PubChem (CID 19748395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).