oxasilinane;propanedioic acid

C7H14O5Si — CID 173162468

IUPACoxasilinane;propanedioic acid
SMILESC1CC[SiH2]OC1.O=C(O)CC(=O)O
InChIInChI=1S/C4H10OSi.C3H4O4/c1-2-4-6-5-3-1;4-2(5)1-3(6)7/h1-4,6H2;1H2,(H,4,5)(H,6,7)
InChIKeyVYJYNFBHONOEGX-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.16
Rot. Bonds2

About oxasilinane;propanedioic acid

oxasilinane;propanedioic acid (PubChem CID 173162468) has the molecular formula C7H14O5Si and a molecular weight of 206.27 g/mol. Its IUPAC name is oxasilinane;propanedioic acid.

Molecular Properties

Compound Nameoxasilinane;propanedioic acid
PubChem CID173162468
Molecular FormulaC7H14O5Si
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Nameoxasilinane;propanedioic acid
SMILESC1CC[SiH2]OC1.O=C(O)CC(=O)O
InChIInChI=1S/C4H10OSi.C3H4O4/c1-2-4-6-5-3-1;4-2(5)1-3(6)7/h1-4,6H2;1H2,(H,4,5)(H,6,7)
InChIKeyVYJYNFBHONOEGX-UHFFFAOYSA-N
XLogP-0.16
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

azane;oxasilinane
CID 173332009
oxasilinane;platinum
CID 173178269
dihydroxy(oxo)phosphanium;oxasilinane
CID 173075218
ethenyl acetate;oxasilinane
CID 173450943
butyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxasilinane
CID 173259605
CID 87073401
CID 87073401
propanedioic acid;tungsten
CID 22081019
propanedioic acid;terbium
CID 87785742
butanedioic acid;oxolane
CID 70210247
ethene;propanedioic acid
CID 159912302
calcium;propanedioic acid;dichloride
CID 172710665
propanedioic acid;hydrate;dihydrochloride
CID 173455263

Frequently Asked Questions

What is the IUPAC name of oxasilinane;propanedioic acid?
The IUPAC name of oxasilinane;propanedioic acid (CID 173162468) is oxasilinane;propanedioic acid.
What is the SMILES notation for oxasilinane;propanedioic acid?
The canonical SMILES for oxasilinane;propanedioic acid is C1CC[SiH2]OC1.O=C(O)CC(=O)O.
What is the InChIKey of oxasilinane;propanedioic acid?
The InChIKey is VYJYNFBHONOEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OSi.C3H4O4/c1-2-4-6-5-3-1;4-2(5)1-3(6)7/h1-4,6H2;1H2,(H,4,5)(H,6,7).
What are the key properties of oxasilinane;propanedioic acid?
oxasilinane;propanedioic acid has a molecular weight of 206.27 g/mol, XLogP of -0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxasilinane;propanedioic acid is sourced from PubChem (CID 173162468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).