CID 87143951

C12H18O8Si2 — CID 87143951

IUPAC—
SMILESCC(=O)OC(OC(C)=O)[Si]CC[Si]C(OC(C)=O)OC(C)=O
InChIInChI=1S/C12H18O8Si2/c1-7(13)17-11(18-8(2)14)21-5-6-22-12(19-9(3)15)20-10(4)16/h11-12H,5-6H2,1-4H3
InChIKeyJCQDBYYLNCHEED-UHFFFAOYSA-N
MW346.44 g/mol
LogP0.05
Rot. Bonds9

About CID 87143951

CID 87143951 (PubChem CID 87143951) has the molecular formula C12H18O8Si2 and a molecular weight of 346.44 g/mol.

Molecular Properties

Compound NameCID 87143951
PubChem CID87143951
Molecular FormulaC12H18O8Si2
Molecular Weight346.44 g/mol
Exact Mass346.05
IUPAC Name—
SMILESCC(=O)OC(OC(C)=O)[Si]CC[Si]C(OC(C)=O)OC(C)=O
InChIInChI=1S/C12H18O8Si2/c1-7(13)17-11(18-8(2)14)21-5-6-22-12(19-9(3)15)20-10(4)16/h11-12H,5-6H2,1-4H3
InChIKeyJCQDBYYLNCHEED-UHFFFAOYSA-N
XLogP0.05
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 87143851
CID 87143851
1-hydroxypropyl acetate
CID 21275092
CID 22902844
CID 22902844
propane;propan-2-yl acetate
CID 23325886
diacetoxyethylsilane
CID 57248642
[(2R)-1-amino-3-cyanopropan-2-yl] acetate
CID 130737264
[(E)-1-acetyloxy-2-methylbut-2-enyl] acetate
CID 18359389
1-silylpropyl acetate
CID 173180610
propan-2-yl acetate;hydrochloride
CID 87336432
(2-acetyloxy-1,2-dichloroethyl) acetate
CID 536148
CID 87592906
CID 87592906
(5-hydroxy-2,7-dimethyloctan-4-yl) acetate
CID 141029389

Frequently Asked Questions

What is the IUPAC name of CID 87143951?
The IUPAC name of CID 87143951 (CID 87143951) is not available.
What is the SMILES notation for CID 87143951?
The canonical SMILES for CID 87143951 is CC(=O)OC(OC(C)=O)[Si]CC[Si]C(OC(C)=O)OC(C)=O.
What is the InChIKey of CID 87143951?
The InChIKey is JCQDBYYLNCHEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O8Si2/c1-7(13)17-11(18-8(2)14)21-5-6-22-12(19-9(3)15)20-10(4)16/h11-12H,5-6H2,1-4H3.
What are the key properties of CID 87143951?
CID 87143951 has a molecular weight of 346.44 g/mol, XLogP of 0.05, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87143951 is sourced from PubChem (CID 87143951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).