CID 5486382

C8H13O4S — CID 5486382

IUPAC—
SMILESCOC(=O)CCCC(=O)OCC[S]
InChIInChI=1S/C8H13O4S/c1-11-7(9)3-2-4-8(10)12-5-6-13/h2-6H2,1H3
InChIKeyUPMWFGCGFUNKCB-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.07
Rot. Bonds6

About CID 5486382

CID 5486382 (PubChem CID 5486382) has the molecular formula C8H13O4S and a molecular weight of 205.25 g/mol.

Molecular Properties

Compound NameCID 5486382
PubChem CID5486382
Molecular FormulaC8H13O4S
Molecular Weight205.25 g/mol
Exact Mass205.05
IUPAC Name—
SMILESCOC(=O)CCCC(=O)OCC[S]
InChIInChI=1S/C8H13O4S/c1-11-7(9)3-2-4-8(10)12-5-6-13/h2-6H2,1H3
InChIKeyUPMWFGCGFUNKCB-UHFFFAOYSA-N
XLogP1.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl pentanedioate;dipropyl butanedioate
CID 174797581
CID 5484878
CID 5484878
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl hexanedioate;stannane
CID 173290076
10-O-butyl 1-O-methyl decanedioate
CID 22057000
1-O-methyl 5-O-[2-(2-methylprop-2-enoyloxy)ethyl] pentanedioate
CID 19981207
dimethyl 5-methylidenenonanedioate
CID 121012075
1-O-methyl 6-O-octadecyl hexanedioate
CID 91718016
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl tricosanedioate
CID 12632762

Frequently Asked Questions

What is the IUPAC name of CID 5486382?
The IUPAC name of CID 5486382 (CID 5486382) is not available.
What is the SMILES notation for CID 5486382?
The canonical SMILES for CID 5486382 is COC(=O)CCCC(=O)OCC[S].
What is the InChIKey of CID 5486382?
The InChIKey is UPMWFGCGFUNKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O4S/c1-11-7(9)3-2-4-8(10)12-5-6-13/h2-6H2,1H3.
What are the key properties of CID 5486382?
CID 5486382 has a molecular weight of 205.25 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5486382 is sourced from PubChem (CID 5486382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).