bis(butanedioic acid);silane

C8H16O8Si — CID 173419629

IUPACbis(butanedioic acid);silane
SMILESO=C(O)CCC(=O)O.O=C(O)CCC(=O)O.[SiH4]
InChIInChI=1S/2C4H6O4.H4Si/c2*5-3(6)1-2-4(7)8;/h2*1-2H2,(H,5,6)(H,7,8);1H4
InChIKeyQGRWEVZKPPOSRE-UHFFFAOYSA-N
MW268.29 g/mol
LogP-1.58
Rot. Bonds6

About bis(butanedioic acid);silane

bis(butanedioic acid);silane (PubChem CID 173419629) has the molecular formula C8H16O8Si and a molecular weight of 268.29 g/mol. Its IUPAC name is bis(butanedioic acid);silane.

Molecular Properties

Compound Namebis(butanedioic acid);silane
PubChem CID173419629
Molecular FormulaC8H16O8Si
Molecular Weight268.29 g/mol
Exact Mass268.06
IUPAC Namebis(butanedioic acid);silane
SMILESO=C(O)CCC(=O)O.O=C(O)CCC(=O)O.[SiH4]
InChIInChI=1S/2C4H6O4.H4Si/c2*5-3(6)1-2-4(7)8;/h2*1-2H2,(H,5,6)(H,7,8);1H4
InChIKeyQGRWEVZKPPOSRE-UHFFFAOYSA-N
XLogP-1.58
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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
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
sodium;butanedioic acid;hydride;trihydrate
CID 173259329

Frequently Asked Questions

What is the IUPAC name of bis(butanedioic acid);silane?
The IUPAC name of bis(butanedioic acid);silane (CID 173419629) is bis(butanedioic acid);silane.
What is the SMILES notation for bis(butanedioic acid);silane?
The canonical SMILES for bis(butanedioic acid);silane is O=C(O)CCC(=O)O.O=C(O)CCC(=O)O.[SiH4].
What is the InChIKey of bis(butanedioic acid);silane?
The InChIKey is QGRWEVZKPPOSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H6O4.H4Si/c2*5-3(6)1-2-4(7)8;/h2*1-2H2,(H,5,6)(H,7,8);1H4.
What are the key properties of bis(butanedioic acid);silane?
bis(butanedioic acid);silane has a molecular weight of 268.29 g/mol, XLogP of -1.58, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butanedioic acid);silane is sourced from PubChem (CID 173419629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).