bis(butanedioic acid);iminosilane

C8H15NO8Si — CID 174936954

IUPACbis(butanedioic acid);iminosilane
SMILESO=C(O)CCC(=O)O.O=C(O)CCC(=O)O.[H]N=[SiH2]
InChIInChI=1S/2C4H6O4.H3NSi/c2*5-3(6)1-2-4(7)8;1-2/h2*1-2H2,(H,5,6)(H,7,8);1H,2H2
InChIKeyHNENFFOINCCGAW-UHFFFAOYSA-N
MW281.29 g/mol
LogP-0.75
Rot. Bonds6

About bis(butanedioic acid);iminosilane

bis(butanedioic acid);iminosilane (PubChem CID 174936954) has the molecular formula C8H15NO8Si and a molecular weight of 281.29 g/mol. Its IUPAC name is bis(butanedioic acid);iminosilane.

Molecular Properties

Compound Namebis(butanedioic acid);iminosilane
PubChem CID174936954
Molecular FormulaC8H15NO8Si
Molecular Weight281.29 g/mol
Exact Mass281.06
IUPAC Namebis(butanedioic acid);iminosilane
SMILESO=C(O)CCC(=O)O.O=C(O)CCC(=O)O.[H]N=[SiH2]
InChIInChI=1S/2C4H6O4.H3NSi/c2*5-3(6)1-2-4(7)8;1-2/h2*1-2H2,(H,5,6)(H,7,8);1H,2H2
InChIKeyHNENFFOINCCGAW-UHFFFAOYSA-N
XLogP-0.75
TPSA173.05 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 5-0.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(butanedioic acid);carbonic acid
CID 159577506
butanedioic acid;hydrochloride
CID 87113713
bis(butanedioic acid);silane
CID 173419629
trisodium;butanedioic acid
CID 175698490
azane;butanedioic acid
CID 87070561
bis(butanedioic acid);hydroxylamine
CID 174855273
azane;butanedioic acid;dihydrate
CID 141112137
butanedioic acid;ethene
CID 87532899
butanedioic acid;zinc;dihydrate
CID 175420905
butanedioic acid;zinc;dihydrate
CID 175091968
butanedioic acid;difluoromethane
CID 159584710
azane;butanedioic acid;methanol
CID 131741728

Frequently Asked Questions

What is the IUPAC name of bis(butanedioic acid);iminosilane?
The IUPAC name of bis(butanedioic acid);iminosilane (CID 174936954) is bis(butanedioic acid);iminosilane.
What is the SMILES notation for bis(butanedioic acid);iminosilane?
The canonical SMILES for bis(butanedioic acid);iminosilane is O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.[H]N=[SiH2].
What is the InChIKey of bis(butanedioic acid);iminosilane?
The InChIKey is HNENFFOINCCGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6O4.H3NSi/c2*5-3(6)1-2-4(7)8;1-2/h2*1-2H2,(H,5,6)(H,7,8);1H,2H2.
What are the key properties of bis(butanedioic acid);iminosilane?
bis(butanedioic acid);iminosilane has a molecular weight of 281.29 g/mol, XLogP of -0.75, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butanedioic acid);iminosilane is sourced from PubChem (CID 174936954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).