dimethyl hexanedioate;stannane

C8H18O4Sn — CID 173290076

IUPACdimethyl hexanedioate;stannane
SMILESCOC(=O)CCCCC(=O)OC.[SnH4]
InChIInChI=1S/C8H14O4.Sn.4H/c1-11-7(9)5-3-4-6-8(10)12-2;;;;;/h3-6H2,1-2H3;;;;;
InChIKeyICEAYXQETQRQAP-UHFFFAOYSA-N
MW296.94 g/mol
LogP-0.56
Rot. Bonds5

About dimethyl hexanedioate;stannane

dimethyl hexanedioate;stannane (PubChem CID 173290076) has the molecular formula C8H18O4Sn and a molecular weight of 296.94 g/mol. Its IUPAC name is dimethyl hexanedioate;stannane.

Molecular Properties

Compound Namedimethyl hexanedioate;stannane
PubChem CID173290076
Molecular FormulaC8H18O4Sn
Molecular Weight296.94 g/mol
Exact Mass298.02
IUPAC Namedimethyl hexanedioate;stannane
SMILESCOC(=O)CCCCC(=O)OC.[SnH4]
InChIInChI=1S/C8H14O4.Sn.4H/c1-11-7(9)5-3-4-6-8(10)12-2;;;;;/h3-6H2,1-2H3;;;;;
InChIKeyICEAYXQETQRQAP-UHFFFAOYSA-N
XLogP-0.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.94
LogP ≤ 5-0.56
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 hexanedioate;λ2-stannane
CID 173290075
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;molecular hydrogen
CID 173272620
dimethyl 6,7-dioxododecanedioate
CID 71343651
dimethyl pentanedioate;hydrochloride
CID 175168861
methyl 4-methoxybutanoate
CID 542317
dimethyl 9-oxooctadecanedioate
CID 544455
methyl 20-bromoicosanoate
CID 155895697
dimethyl tetradecanedioate;tetradecanedioic acid
CID 175922218
methyl heptanoate
CID 7826

Frequently Asked Questions

What is the IUPAC name of dimethyl hexanedioate;stannane?
The IUPAC name of dimethyl hexanedioate;stannane (CID 173290076) is dimethyl hexanedioate;stannane.
What is the SMILES notation for dimethyl hexanedioate;stannane?
The canonical SMILES for dimethyl hexanedioate;stannane is COC(=O)CCCCC(=O)OC.[SnH4].
What is the InChIKey of dimethyl hexanedioate;stannane?
The InChIKey is ICEAYXQETQRQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4.Sn.4H/c1-11-7(9)5-3-4-6-8(10)12-2;;;;;/h3-6H2,1-2H3;;;;;.
What are the key properties of dimethyl hexanedioate;stannane?
dimethyl hexanedioate;stannane has a molecular weight of 296.94 g/mol, XLogP of -0.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl hexanedioate;stannane is sourced from PubChem (CID 173290076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).