butyl prop-2-enoate;methyl(silyloxy)silane

C8H20O3Si2 — CID 173404202

IUPACbutyl prop-2-enoate;methyl(silyloxy)silane
SMILESC=CC(=O)OCCCC.C[SiH2]O[SiH3]
InChIInChI=1S/C7H12O2.CH8OSi2/c1-3-5-6-9-7(8)4-2;1-4-2-3/h4H,2-3,5-6H2,1H3;4H2,1,3H3
InChIKeyJERSQXHILUPXHL-UHFFFAOYSA-N
MW220.42 g/mol
LogP-0.07
Rot. Bonds5

About butyl prop-2-enoate;methyl(silyloxy)silane

butyl prop-2-enoate;methyl(silyloxy)silane (PubChem CID 173404202) has the molecular formula C8H20O3Si2 and a molecular weight of 220.42 g/mol. Its IUPAC name is butyl prop-2-enoate;methyl(silyloxy)silane.

Molecular Properties

Compound Namebutyl prop-2-enoate;methyl(silyloxy)silane
PubChem CID173404202
Molecular FormulaC8H20O3Si2
Molecular Weight220.42 g/mol
Exact Mass220.10
IUPAC Namebutyl prop-2-enoate;methyl(silyloxy)silane
SMILESC=CC(=O)OCCCC.C[SiH2]O[SiH3]
InChIInChI=1S/C7H12O2.CH8OSi2/c1-3-5-6-9-7(8)4-2;1-4-2-3/h4H,2-3,5-6H2,1H3;4H2,1,3H3
InChIKeyJERSQXHILUPXHL-UHFFFAOYSA-N
XLogP-0.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.42
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

butyl prop-2-enoate;bis(ethyl prop-2-enoate)
CID 174617066
acetic acid;butyl prop-2-enoate;prop-2-enoic acid
CID 159700661
butan-2-one;butyl prop-2-enoate
CID 88737685
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
azane;octyl prop-2-enoate
CID 175482602
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716

Frequently Asked Questions

What is the IUPAC name of butyl prop-2-enoate;methyl(silyloxy)silane?
The IUPAC name of butyl prop-2-enoate;methyl(silyloxy)silane (CID 173404202) is butyl prop-2-enoate;methyl(silyloxy)silane.
What is the SMILES notation for butyl prop-2-enoate;methyl(silyloxy)silane?
The canonical SMILES for butyl prop-2-enoate;methyl(silyloxy)silane is C=CC(=O)OCCCC.C[SiH2]O[SiH3].
What is the InChIKey of butyl prop-2-enoate;methyl(silyloxy)silane?
The InChIKey is JERSQXHILUPXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.CH8OSi2/c1-3-5-6-9-7(8)4-2;1-4-2-3/h4H,2-3,5-6H2,1H3;4H2,1,3H3.
What are the key properties of butyl prop-2-enoate;methyl(silyloxy)silane?
butyl prop-2-enoate;methyl(silyloxy)silane has a molecular weight of 220.42 g/mol, XLogP of -0.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl prop-2-enoate;methyl(silyloxy)silane is sourced from PubChem (CID 173404202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).