pentanoyloxysulfinyl pentanoate

C10H18O5S — CID 54331487

IUPACpentanoyloxysulfinyl pentanoate
SMILESCCCCC(=O)OS(=O)OC(=O)CCCC
InChIInChI=1S/C10H18O5S/c1-3-5-7-9(11)14-16(13)15-10(12)8-6-4-2/h3-8H2,1-2H3
InChIKeySYQXHOJPGWACAO-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.03
Rot. Bonds8

About pentanoyloxysulfinyl pentanoate

pentanoyloxysulfinyl pentanoate (PubChem CID 54331487) has the molecular formula C10H18O5S and a molecular weight of 250.32 g/mol. Its IUPAC name is pentanoyloxysulfinyl pentanoate.

Molecular Properties

Compound Namepentanoyloxysulfinyl pentanoate
PubChem CID54331487
Molecular FormulaC10H18O5S
Molecular Weight250.32 g/mol
Exact Mass250.09
IUPAC Namepentanoyloxysulfinyl pentanoate
SMILESCCCCC(=O)OS(=O)OC(=O)CCCC
InChIInChI=1S/C10H18O5S/c1-3-5-7-9(11)14-16(13)15-10(12)8-6-4-2/h3-8H2,1-2H3
InChIKeySYQXHOJPGWACAO-UHFFFAOYSA-N
XLogP2.03
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

heptanoyloxysulfinyl heptanoate
CID 91311548
hexanoyl sulfite
CID 174493276
2-oxoethoxysulfinyl decanoate
CID 174898903
dipentanoyl hexanedioate
CID 174373362
fluoro pentanoate;hydrochloride
CID 140774390
hydrazine;methyl pentanoate
CID 88709772
di(pentanoyloxy)indiganyl pentanoate
CID 16717023
1-hydroxypropyl pentanoate
CID 141059599
bismuthane;propyl pentanoate
CID 174550006
(2-amino-2-oxoethyl) pentanoate
CID 142660312
trimethyl(pentanoyloxy)azanium
CID 101455348
[(Z)-pent-2-enyl] pentanoate
CID 5367937

Frequently Asked Questions

What is the IUPAC name of pentanoyloxysulfinyl pentanoate?
The IUPAC name of pentanoyloxysulfinyl pentanoate (CID 54331487) is pentanoyloxysulfinyl pentanoate.
What is the SMILES notation for pentanoyloxysulfinyl pentanoate?
The canonical SMILES for pentanoyloxysulfinyl pentanoate is CCCCC(=O)OS(=O)OC(=O)CCCC.
What is the InChIKey of pentanoyloxysulfinyl pentanoate?
The InChIKey is SYQXHOJPGWACAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5S/c1-3-5-7-9(11)14-16(13)15-10(12)8-6-4-2/h3-8H2,1-2H3.
What are the key properties of pentanoyloxysulfinyl pentanoate?
pentanoyloxysulfinyl pentanoate has a molecular weight of 250.32 g/mol, XLogP of 2.03, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentanoyloxysulfinyl pentanoate is sourced from PubChem (CID 54331487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).