dimethyl pentanedioate;hydrochloride

C7H13ClO4 — CID 175168861

IUPACdimethyl pentanedioate;hydrochloride
SMILESCOC(=O)CCCC(=O)OC.Cl
InChIInChI=1S/C7H12O4.ClH/c1-10-6(8)4-3-5-7(9)11-2;/h3-5H2,1-2H3;1H
InChIKeyIQSUEUKQTLDXLH-UHFFFAOYSA-N
MW196.63 g/mol
LogP0.92
Rot. Bonds4

About dimethyl pentanedioate;hydrochloride

dimethyl pentanedioate;hydrochloride (PubChem CID 175168861) has the molecular formula C7H13ClO4 and a molecular weight of 196.63 g/mol. Its IUPAC name is dimethyl pentanedioate;hydrochloride.

Molecular Properties

Compound Namedimethyl pentanedioate;hydrochloride
PubChem CID175168861
Molecular FormulaC7H13ClO4
Molecular Weight196.63 g/mol
Exact Mass196.05
IUPAC Namedimethyl pentanedioate;hydrochloride
SMILESCOC(=O)CCCC(=O)OC.Cl
InChIInChI=1S/C7H12O4.ClH/c1-10-6(8)4-3-5-7(9)11-2;/h3-5H2,1-2H3;1H
InChIKeyIQSUEUKQTLDXLH-UHFFFAOYSA-N
XLogP0.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
dimethyl hexanedioate;molecular hydrogen
CID 173272620
dimethyl 5-methylidenenonanedioate
CID 121012075
methyl 4-aminobutanoate;dihydrochloride
CID 170991800
dimethyl 6,7-dioxododecanedioate
CID 71343651
8-methoxy-8-oxooctanoic acid;hydrochloride
CID 87214836
methyl heptanoate;dihydrochloride
CID 140971064
methyl nonanoate;hydrochloride
CID 141151355

Frequently Asked Questions

What is the IUPAC name of dimethyl pentanedioate;hydrochloride?
The IUPAC name of dimethyl pentanedioate;hydrochloride (CID 175168861) is dimethyl pentanedioate;hydrochloride.
What is the SMILES notation for dimethyl pentanedioate;hydrochloride?
The canonical SMILES for dimethyl pentanedioate;hydrochloride is COC(=O)CCCC(=O)OC.Cl.
What is the InChIKey of dimethyl pentanedioate;hydrochloride?
The InChIKey is IQSUEUKQTLDXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4.ClH/c1-10-6(8)4-3-5-7(9)11-2;/h3-5H2,1-2H3;1H.
What are the key properties of dimethyl pentanedioate;hydrochloride?
dimethyl pentanedioate;hydrochloride has a molecular weight of 196.63 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl pentanedioate;hydrochloride is sourced from PubChem (CID 175168861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).