dihydroxy(oxo)silane;pent-4-en-2-one

C5H10O4Si — CID 88814278

IUPACdihydroxy(oxo)silane;pent-4-en-2-one
SMILESC=CCC(C)=O.O=[Si](O)O
InChIInChI=1S/C5H8O.H2O3Si/c1-3-4-5(2)6;1-4(2)3/h3H,1,4H2,2H3;1-2H
InChIKeyIAOXIZAHCURIMY-UHFFFAOYSA-N
MW162.22 g/mol
LogP-0.46
Rot. Bonds2

About dihydroxy(oxo)silane;pent-4-en-2-one

dihydroxy(oxo)silane;pent-4-en-2-one (PubChem CID 88814278) has the molecular formula C5H10O4Si and a molecular weight of 162.22 g/mol. Its IUPAC name is dihydroxy(oxo)silane;pent-4-en-2-one.

Molecular Properties

Compound Namedihydroxy(oxo)silane;pent-4-en-2-one
PubChem CID88814278
Molecular FormulaC5H10O4Si
Molecular Weight162.22 g/mol
Exact Mass162.03
IUPAC Namedihydroxy(oxo)silane;pent-4-en-2-one
SMILESC=CCC(C)=O.O=[Si](O)O
InChIInChI=1S/C5H8O.H2O3Si/c1-3-4-5(2)6;1-4(2)3/h3H,1,4H2,2H3;1-2H
InChIKeyIAOXIZAHCURIMY-UHFFFAOYSA-N
XLogP-0.46
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(213C)pent-4-en-2-one
CID 173180315
calcium;hydride;pent-4-en-2-one
CID 174750875
butan-2-one;methane;3-oxobutanal;pentane-2,4-dione;pent-4-en-2-one;propan-2-one
CID 158223681
oct-4-ene-2,7-dione
CID 57029717
dec-9-ene-2,7-dione
CID 12569346
(3Z)-4-methylhepta-3,6-dienoic acid
CID 14197243
2-methylbuta-1,3-diene;pentane-2,4-dione
CID 18795140
5-triethylsilyloxyhepta-4,6-dien-2-one
CID 71386610
penta-1,4-dien-2-yl acetate
CID 87522021
(4Z,6Z)-nona-4,6,8-trien-2-one
CID 142221848
tris(but-3-en-2-one);tungsten
CID 54606302
but-3-en-2-one;hydrochloride
CID 172746503

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)silane;pent-4-en-2-one?
The IUPAC name of dihydroxy(oxo)silane;pent-4-en-2-one (CID 88814278) is dihydroxy(oxo)silane;pent-4-en-2-one.
What is the SMILES notation for dihydroxy(oxo)silane;pent-4-en-2-one?
The canonical SMILES for dihydroxy(oxo)silane;pent-4-en-2-one is C=CCC(C)=O.O=[Si](O)O.
What is the InChIKey of dihydroxy(oxo)silane;pent-4-en-2-one?
The InChIKey is IAOXIZAHCURIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.H2O3Si/c1-3-4-5(2)6;1-4(2)3/h3H,1,4H2,2H3;1-2H.
What are the key properties of dihydroxy(oxo)silane;pent-4-en-2-one?
dihydroxy(oxo)silane;pent-4-en-2-one has a molecular weight of 162.22 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)silane;pent-4-en-2-one is sourced from PubChem (CID 88814278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).