but-3-enyl-but-3-enylsilyloxy-dihydroxysilane

C8H18O3Si2 — CID 123696998

IUPACbut-3-enyl-but-3-enylsilyloxy-dihydroxysilane
SMILESC=CCC[SiH2]O[Si](O)(O)CCC=C
InChIInChI=1S/C8H18O3Si2/c1-3-5-7-12-11-13(9,10)8-6-4-2/h3-4,9-10H,1-2,5-8,12H2
InChIKeyPFAHXTLBKRPTJD-UHFFFAOYSA-N
MW218.40 g/mol
LogP0.58
Rot. Bonds8

About but-3-enyl-but-3-enylsilyloxy-dihydroxysilane

but-3-enyl-but-3-enylsilyloxy-dihydroxysilane (PubChem CID 123696998) has the molecular formula C8H18O3Si2 and a molecular weight of 218.40 g/mol. Its IUPAC name is but-3-enyl-but-3-enylsilyloxy-dihydroxysilane.

Molecular Properties

Compound Namebut-3-enyl-but-3-enylsilyloxy-dihydroxysilane
PubChem CID123696998
Molecular FormulaC8H18O3Si2
Molecular Weight218.40 g/mol
Exact Mass218.08
IUPAC Namebut-3-enyl-but-3-enylsilyloxy-dihydroxysilane
SMILESC=CCC[SiH2]O[Si](O)(O)CCC=C
InChIInChI=1S/C8H18O3Si2/c1-3-5-7-12-11-13(9,10)8-6-4-2/h3-4,9-10H,1-2,5-8,12H2
InChIKeyPFAHXTLBKRPTJD-UHFFFAOYSA-N
XLogP0.58
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.40
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 but-3-enyl-but-3-enylsilyloxy-dihydroxysilane?
The IUPAC name of but-3-enyl-but-3-enylsilyloxy-dihydroxysilane (CID 123696998) is but-3-enyl-but-3-enylsilyloxy-dihydroxysilane.
What is the SMILES notation for but-3-enyl-but-3-enylsilyloxy-dihydroxysilane?
The canonical SMILES for but-3-enyl-but-3-enylsilyloxy-dihydroxysilane is C=CCC[SiH2]O[Si](O)(O)CCC=C.
What is the InChIKey of but-3-enyl-but-3-enylsilyloxy-dihydroxysilane?
The InChIKey is PFAHXTLBKRPTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3Si2/c1-3-5-7-12-11-13(9,10)8-6-4-2/h3-4,9-10H,1-2,5-8,12H2.
What are the key properties of but-3-enyl-but-3-enylsilyloxy-dihydroxysilane?
but-3-enyl-but-3-enylsilyloxy-dihydroxysilane has a molecular weight of 218.40 g/mol, XLogP of 0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl-but-3-enylsilyloxy-dihydroxysilane is sourced from PubChem (CID 123696998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).