O-ethyl nonanethioate

C11H22OS — CID 54419775

IUPACO-ethyl nonanethioate
SMILESCCCCCCCCC(=S)OCC
InChIInChI=1S/C11H22OS/c1-3-5-6-7-8-9-10-11(13)12-4-2/h3-10H2,1-2H3
InChIKeyVZYXYVKXGUUJKO-UHFFFAOYSA-N
MW202.36 g/mol
LogP4.10
Rot. Bonds8

About O-ethyl nonanethioate

O-ethyl nonanethioate (PubChem CID 54419775) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is O-ethyl nonanethioate.

Molecular Properties

Compound NameO-ethyl nonanethioate
PubChem CID54419775
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC NameO-ethyl nonanethioate
SMILESCCCCCCCCC(=S)OCC
InChIInChI=1S/C11H22OS/c1-3-5-6-7-8-9-10-11(13)12-4-2/h3-10H2,1-2H3
InChIKeyVZYXYVKXGUUJKO-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-O,5-O-diethyl pentanebis(thioate)
CID 15562620
O-dodecyl heptanethioate
CID 140990759
O-propyl hexanethioate
CID 139806160
O-[3-heptadecanethioyloxy-2,2-bis(heptadecanethioyloxymethyl)propyl] heptadecanethioate
CID 19990199
O-heptadecyl pentanethioate
CID 139806129
O-[2,2-bis(nonadecanethioyloxymethyl)butyl] nonadecanethioate
CID 88760902
O-[2,3-di(hexadecanethioyloxy)propyl] hexadecanethioate
CID 11766104
O-(3-triethoxysilylpropyl) octadecanethioate
CID 87778386
ethyl 5-ethoxy-5-sulfanylidenepentanoate
CID 54196447
ethyl undecanoate
CID 12327
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227

Frequently Asked Questions

What is the IUPAC name of O-ethyl nonanethioate?
The IUPAC name of O-ethyl nonanethioate (CID 54419775) is O-ethyl nonanethioate.
What is the SMILES notation for O-ethyl nonanethioate?
The canonical SMILES for O-ethyl nonanethioate is CCCCCCCCC(=S)OCC.
What is the InChIKey of O-ethyl nonanethioate?
The InChIKey is VZYXYVKXGUUJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22OS/c1-3-5-6-7-8-9-10-11(13)12-4-2/h3-10H2,1-2H3.
What are the key properties of O-ethyl nonanethioate?
O-ethyl nonanethioate has a molecular weight of 202.36 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-ethyl nonanethioate is sourced from PubChem (CID 54419775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).