dimethyl hexanedioate;λ2-stannane

C8H16O4Sn — CID 173290075

IUPACdimethyl hexanedioate;λ2-stannane
SMILESCOC(=O)CCCCC(=O)OC.[SnH2]
InChIInChI=1S/C8H14O4.Sn.2H/c1-11-7(9)5-3-4-6-8(10)12-2;;;/h3-6H2,1-2H3;;;
InChIKeyNGQWUGLPJBLQKO-UHFFFAOYSA-N
MW294.92 g/mol
LogP-0.02
Rot. Bonds5

About dimethyl hexanedioate;λ2-stannane

dimethyl hexanedioate;λ2-stannane (PubChem CID 173290075) has the molecular formula C8H16O4Sn and a molecular weight of 294.92 g/mol. Its IUPAC name is dimethyl hexanedioate;λ2-stannane.

Molecular Properties

Compound Namedimethyl hexanedioate;λ2-stannane
PubChem CID173290075
Molecular FormulaC8H16O4Sn
Molecular Weight294.92 g/mol
Exact Mass296.01
IUPAC Namedimethyl hexanedioate;λ2-stannane
SMILESCOC(=O)CCCCC(=O)OC.[SnH2]
InChIInChI=1S/C8H14O4.Sn.2H/c1-11-7(9)5-3-4-6-8(10)12-2;;;/h3-6H2,1-2H3;;;
InChIKeyNGQWUGLPJBLQKO-UHFFFAOYSA-N
XLogP-0.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.92
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
dimethyl hexanedioate;molecular hydrogen
CID 173272620
dimethyl 6,7-dioxododecanedioate
CID 71343651
dimethyl pentanedioate;hydrochloride
CID 175168861
dimethyl 9-oxooctadecanedioate
CID 544455
methyl 20-bromoicosanoate
CID 155895697
methyl heptadecanoate
CID 15609
dimethyl tetradecanedioate;tetradecanedioic acid
CID 175922218
methyl 14-hydroxytetradecanoate
CID 13245690

Frequently Asked Questions

What is the IUPAC name of dimethyl hexanedioate;λ2-stannane?
The IUPAC name of dimethyl hexanedioate;λ2-stannane (CID 173290075) is dimethyl hexanedioate;λ2-stannane.
What is the SMILES notation for dimethyl hexanedioate;λ2-stannane?
The canonical SMILES for dimethyl hexanedioate;λ2-stannane is COC(=O)CCCCC(=O)OC.[SnH2].
What is the InChIKey of dimethyl hexanedioate;λ2-stannane?
The InChIKey is NGQWUGLPJBLQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4.Sn.2H/c1-11-7(9)5-3-4-6-8(10)12-2;;;/h3-6H2,1-2H3;;;.
What are the key properties of dimethyl hexanedioate;λ2-stannane?
dimethyl hexanedioate;λ2-stannane has a molecular weight of 294.92 g/mol, XLogP of -0.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl hexanedioate;λ2-stannane is sourced from PubChem (CID 173290075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).