hydroxysilane;3-trimethoxysilylpropyl but-2-enoate

C10H24O6Si2 — CID 174908985

IUPAChydroxysilane;3-trimethoxysilylpropyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](OC)(OC)OC.O[SiH3]
InChIInChI=1S/C10H20O5Si.H4OSi/c1-5-7-10(11)15-8-6-9-16(12-2,13-3)14-4;1-2/h5,7H,6,8-9H2,1-4H3;1H,2H3
InChIKeyZBKNHPPOUNIZGP-UHFFFAOYSA-N
MW296.47 g/mol
LogP-0.37
Rot. Bonds8

About hydroxysilane;3-trimethoxysilylpropyl but-2-enoate

hydroxysilane;3-trimethoxysilylpropyl but-2-enoate (PubChem CID 174908985) has the molecular formula C10H24O6Si2 and a molecular weight of 296.47 g/mol. Its IUPAC name is hydroxysilane;3-trimethoxysilylpropyl but-2-enoate.

Molecular Properties

Compound Namehydroxysilane;3-trimethoxysilylpropyl but-2-enoate
PubChem CID174908985
Molecular FormulaC10H24O6Si2
Molecular Weight296.47 g/mol
Exact Mass296.11
IUPAC Namehydroxysilane;3-trimethoxysilylpropyl but-2-enoate
SMILESCC=CC(=O)OCCC[Si](OC)(OC)OC.O[SiH3]
InChIInChI=1S/C10H20O5Si.H4OSi/c1-5-7-10(11)15-8-6-9-16(12-2,13-3)14-4;1-2/h5,7H,6,8-9H2,1-4H3;1H,2H3
InChIKeyZBKNHPPOUNIZGP-UHFFFAOYSA-N
XLogP-0.37
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.47
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-trimethoxysilylpropoxy)propyl but-2-enoate
CID 141411136
11-trimethoxysilylundecyl but-2-enoate
CID 141363372
3-[bis(3-but-2-enoyloxypropyl)-methoxysilyl]propyl but-2-enoate
CID 57318763
3-[tris(2-methoxyethoxy)silyl]propyl but-2-enoate
CID 57295755
3-triacetyloxysilylpropyl but-2-enoate
CID 57008855
3-trimethoxysilylpropyl 3-sulfanylprop-2-enoate
CID 142736749
3-[tris[tris(hydroxymethyl)silyloxy]silyl]propyl but-2-enoate
CID 91235537
4-trifluorosilylbutyl but-2-enoate
CID 174106149
3-trioctoxysilylpropyl but-2-enoate
CID 57136236
3-tri(propan-2-yl)silylpropyl but-2-enoate
CID 91430273
3-(methoxy-methyl-propoxysilyl)propyl but-2-enoate
CID 141003620
3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630

Frequently Asked Questions

What is the IUPAC name of hydroxysilane;3-trimethoxysilylpropyl but-2-enoate?
The IUPAC name of hydroxysilane;3-trimethoxysilylpropyl but-2-enoate (CID 174908985) is hydroxysilane;3-trimethoxysilylpropyl but-2-enoate.
What is the SMILES notation for hydroxysilane;3-trimethoxysilylpropyl but-2-enoate?
The canonical SMILES for hydroxysilane;3-trimethoxysilylpropyl but-2-enoate is CC=CC(=O)OCCC[Si](OC)(OC)OC.O[SiH3].
What is the InChIKey of hydroxysilane;3-trimethoxysilylpropyl but-2-enoate?
The InChIKey is ZBKNHPPOUNIZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O5Si.H4OSi/c1-5-7-10(11)15-8-6-9-16(12-2,13-3)14-4;1-2/h5,7H,6,8-9H2,1-4H3;1H,2H3.
What are the key properties of hydroxysilane;3-trimethoxysilylpropyl but-2-enoate?
hydroxysilane;3-trimethoxysilylpropyl but-2-enoate has a molecular weight of 296.47 g/mol, XLogP of -0.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxysilane;3-trimethoxysilylpropyl but-2-enoate is sourced from PubChem (CID 174908985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).