butanedioic acid;2,2-dimethyloxasilinane

C10H20O5Si — CID 174614210

IUPACbutanedioic acid;2,2-dimethyloxasilinane
SMILESC[Si]1(C)CCCCO1.O=C(O)CCC(=O)O
InChIInChI=1S/C6H14OSi.C4H6O4/c1-8(2)6-4-3-5-7-8;5-3(6)1-2-4(7)8/h3-6H2,1-2H3;1-2H2,(H,5,6)(H,7,8)
InChIKeyKXXUTDGKDIHFJD-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.94
Rot. Bonds3

About butanedioic acid;2,2-dimethyloxasilinane

butanedioic acid;2,2-dimethyloxasilinane (PubChem CID 174614210) has the molecular formula C10H20O5Si and a molecular weight of 248.35 g/mol. Its IUPAC name is butanedioic acid;2,2-dimethyloxasilinane.

Molecular Properties

Compound Namebutanedioic acid;2,2-dimethyloxasilinane
PubChem CID174614210
Molecular FormulaC10H20O5Si
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Namebutanedioic acid;2,2-dimethyloxasilinane
SMILESC[Si]1(C)CCCCO1.O=C(O)CCC(=O)O
InChIInChI=1S/C6H14OSi.C4H6O4/c1-8(2)6-4-3-5-7-8;5-3(6)1-2-4(7)8/h3-6H2,1-2H3;1-2H2,(H,5,6)(H,7,8)
InChIKeyKXXUTDGKDIHFJD-UHFFFAOYSA-N
XLogP1.94
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze butanedioic acid;2,2-dimethyloxasilinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butane;2,2-dimethyloxasilinane
CID 175060345
butanedioic acid;oxolane
CID 70210247
butanedioic acid;cyclobutane
CID 157277656
oxolane;propanoic acid
CID 162183532
2,2,6,6-tetramethyl-1,5,2,6-dioxadisilocane
CID 12619896
azane;butanedioic acid;methanol
CID 131741728
bis(butanedioic acid);carbonic acid
CID 159577506
bis(butanedioic acid);silane
CID 173419629
butanedioic acid;hydrochloride
CID 87113713
trisodium;butanedioic acid
CID 175698490
azane;butanedioic acid
CID 87070561
2-ethyl-2-hydroxyoxasilinane
CID 21251751

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;2,2-dimethyloxasilinane?
The IUPAC name of butanedioic acid;2,2-dimethyloxasilinane (CID 174614210) is butanedioic acid;2,2-dimethyloxasilinane.
What is the SMILES notation for butanedioic acid;2,2-dimethyloxasilinane?
The canonical SMILES for butanedioic acid;2,2-dimethyloxasilinane is C[Si]1(C)CCCCO1.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;2,2-dimethyloxasilinane?
The InChIKey is KXXUTDGKDIHFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14OSi.C4H6O4/c1-8(2)6-4-3-5-7-8;5-3(6)1-2-4(7)8/h3-6H2,1-2H3;1-2H2,(H,5,6)(H,7,8).
What are the key properties of butanedioic acid;2,2-dimethyloxasilinane?
butanedioic acid;2,2-dimethyloxasilinane has a molecular weight of 248.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;2,2-dimethyloxasilinane is sourced from PubChem (CID 174614210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).