[dibromo(propanoyloxy)silyl] propanoate

C6H10Br2O4Si — CID 139686973

IUPAC[dibromo(propanoyloxy)silyl] propanoate
SMILESCCC(=O)O[Si](Br)(Br)OC(=O)CC
InChIInChI=1S/C6H10Br2O4Si/c1-3-5(9)11-13(7,8)12-6(10)4-2/h3-4H2,1-2H3
InChIKeyDXVCVGMEEZZJDN-UHFFFAOYSA-N
MW334.04 g/mol
LogP2.12
Rot. Bonds4

About [dibromo(propanoyloxy)silyl] propanoate

[dibromo(propanoyloxy)silyl] propanoate (PubChem CID 139686973) has the molecular formula C6H10Br2O4Si and a molecular weight of 334.04 g/mol. Its IUPAC name is [dibromo(propanoyloxy)silyl] propanoate.

Molecular Properties

Compound Name[dibromo(propanoyloxy)silyl] propanoate
PubChem CID139686973
Molecular FormulaC6H10Br2O4Si
Molecular Weight334.04 g/mol
Exact Mass331.87
IUPAC Name[dibromo(propanoyloxy)silyl] propanoate
SMILESCCC(=O)O[Si](Br)(Br)OC(=O)CC
InChIInChI=1S/C6H10Br2O4Si/c1-3-5(9)11-13(7,8)12-6(10)4-2/h3-4H2,1-2H3
InChIKeyDXVCVGMEEZZJDN-UHFFFAOYSA-N
XLogP2.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.04
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[dimethoxy(methyl)silyl] propanoate
CID 87595419
trimethoxysilyl propanoate
CID 87655017
triacetyloxysilyl propanoate
CID 139651068
tripropylsilyl propanoate
CID 604402
propanoyl (113C)propanoate
CID 91179573
CID 159416386
CID 159416386
[dimethyl(propoxy)silyl] propanoate
CID 23534071
[(2,3,4,5,6-pentafluorophenyl)-di(propanoyloxy)silyl] propanoate
CID 90170666
CID 87773794
CID 87773794
propanoyloxy-λ2-stannane
CID 173456890
methyl propanoate;dihydrochloride
CID 140968159
CID 59894625
CID 59894625

Frequently Asked Questions

What is the IUPAC name of [dibromo(propanoyloxy)silyl] propanoate?
The IUPAC name of [dibromo(propanoyloxy)silyl] propanoate (CID 139686973) is [dibromo(propanoyloxy)silyl] propanoate.
What is the SMILES notation for [dibromo(propanoyloxy)silyl] propanoate?
The canonical SMILES for [dibromo(propanoyloxy)silyl] propanoate is CCC(=O)O[Si](Br)(Br)OC(=O)CC.
What is the InChIKey of [dibromo(propanoyloxy)silyl] propanoate?
The InChIKey is DXVCVGMEEZZJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Br2O4Si/c1-3-5(9)11-13(7,8)12-6(10)4-2/h3-4H2,1-2H3.
What are the key properties of [dibromo(propanoyloxy)silyl] propanoate?
[dibromo(propanoyloxy)silyl] propanoate has a molecular weight of 334.04 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dibromo(propanoyloxy)silyl] propanoate is sourced from PubChem (CID 139686973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).