dimethyl pentanedioate;dipropyl butanedioate

C17H30O8 — CID 174797581

IUPACdimethyl pentanedioate;dipropyl butanedioate
SMILESCCCOC(=O)CCC(=O)OCCC.COC(=O)CCCC(=O)OC
InChIInChI=1S/C10H18O4.C7H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2;1-10-6(8)4-3-5-7(9)11-2/h3-8H2,1-2H3;3-5H2,1-2H3
InChIKeyFIOOXEUTAZWAGK-UHFFFAOYSA-N
MW362.42 g/mol
LogP2.18
Rot. Bonds11

About dimethyl pentanedioate;dipropyl butanedioate

dimethyl pentanedioate;dipropyl butanedioate (PubChem CID 174797581) has the molecular formula C17H30O8 and a molecular weight of 362.42 g/mol. Its IUPAC name is dimethyl pentanedioate;dipropyl butanedioate.

Molecular Properties

Compound Namedimethyl pentanedioate;dipropyl butanedioate
PubChem CID174797581
Molecular FormulaC17H30O8
Molecular Weight362.42 g/mol
Exact Mass362.19
IUPAC Namedimethyl pentanedioate;dipropyl butanedioate
SMILESCCCOC(=O)CCC(=O)OCCC.COC(=O)CCCC(=O)OC
InChIInChI=1S/C10H18O4.C7H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2;1-10-6(8)4-3-5-7(9)11-2/h3-8H2,1-2H3;3-5H2,1-2H3
InChIKeyFIOOXEUTAZWAGK-UHFFFAOYSA-N
XLogP2.18
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

10-O-butyl 1-O-methyl decanedioate
CID 22057000
ethane;methyl 8-[methyl-(8-oxo-8-propoxyoctyl)amino]octanoate
CID 164554494
bismuthane;propyl pentanoate
CID 174550006
1-O-methyl 6-O-octadecyl hexanedioate
CID 91718016
CID 5486382
CID 5486382
propyl docosanoate
CID 3015299
hydrazine;methyl pentanoate
CID 88709772
dipropyl 4,7-dioxodecanedioate
CID 174356334
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl hexanedioate;stannane
CID 173290076
propyl 4-trimethoxysilylbutanoate
CID 174313237
4-O-(2-hydroxyethyl) 1-O-propyl butanedioate
CID 87981334

Frequently Asked Questions

What is the IUPAC name of dimethyl pentanedioate;dipropyl butanedioate?
The IUPAC name of dimethyl pentanedioate;dipropyl butanedioate (CID 174797581) is dimethyl pentanedioate;dipropyl butanedioate.
What is the SMILES notation for dimethyl pentanedioate;dipropyl butanedioate?
The canonical SMILES for dimethyl pentanedioate;dipropyl butanedioate is CCCOC(=O)CCC(=O)OCCC.COC(=O)CCCC(=O)OC.
What is the InChIKey of dimethyl pentanedioate;dipropyl butanedioate?
The InChIKey is FIOOXEUTAZWAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.C7H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2;1-10-6(8)4-3-5-7(9)11-2/h3-8H2,1-2H3;3-5H2,1-2H3.
What are the key properties of dimethyl pentanedioate;dipropyl butanedioate?
dimethyl pentanedioate;dipropyl butanedioate has a molecular weight of 362.42 g/mol, XLogP of 2.18, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl pentanedioate;dipropyl butanedioate is sourced from PubChem (CID 174797581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).