hydroxy-dimethoxy-prop-2-enylsilane

C5H12O3Si — CID 90254495

IUPAChydroxy-dimethoxy-prop-2-enylsilane
SMILESC=CC[Si](O)(OC)OC
InChIInChI=1S/C5H12O3Si/c1-4-5-9(6,7-2)8-3/h4,6H,1,5H2,2-3H3
InChIKeyKLVFRFHCRWNMGC-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.40
Rot. Bonds4

About hydroxy-dimethoxy-prop-2-enylsilane

hydroxy-dimethoxy-prop-2-enylsilane (PubChem CID 90254495) has the molecular formula C5H12O3Si and a molecular weight of 148.23 g/mol. Its IUPAC name is hydroxy-dimethoxy-prop-2-enylsilane.

Molecular Properties

Compound Namehydroxy-dimethoxy-prop-2-enylsilane
PubChem CID90254495
Molecular FormulaC5H12O3Si
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Namehydroxy-dimethoxy-prop-2-enylsilane
SMILESC=CC[Si](O)(OC)OC
InChIInChI=1S/C5H12O3Si/c1-4-5-9(6,7-2)8-3/h4,6H,1,5H2,2-3H3
InChIKeyKLVFRFHCRWNMGC-UHFFFAOYSA-N
XLogP0.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-dimethoxy-prop-2-enylsilane?
The IUPAC name of hydroxy-dimethoxy-prop-2-enylsilane (CID 90254495) is hydroxy-dimethoxy-prop-2-enylsilane.
What is the SMILES notation for hydroxy-dimethoxy-prop-2-enylsilane?
The canonical SMILES for hydroxy-dimethoxy-prop-2-enylsilane is C=CC[Si](O)(OC)OC.
What is the InChIKey of hydroxy-dimethoxy-prop-2-enylsilane?
The InChIKey is KLVFRFHCRWNMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O3Si/c1-4-5-9(6,7-2)8-3/h4,6H,1,5H2,2-3H3.
What are the key properties of hydroxy-dimethoxy-prop-2-enylsilane?
hydroxy-dimethoxy-prop-2-enylsilane has a molecular weight of 148.23 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-dimethoxy-prop-2-enylsilane is sourced from PubChem (CID 90254495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).