butoxysilane;1-hydroxyethyl prop-2-enoate

C9H20O4Si — CID 175476207

IUPACbutoxysilane;1-hydroxyethyl prop-2-enoate
SMILESC=CC(=O)OC(C)O.CCCCO[SiH3]
InChIInChI=1S/C5H8O3.C4H12OSi/c1-3-5(7)8-4(2)6;1-2-3-4-5-6/h3-4,6H,1H2,2H3;2-4H2,1,6H3
InChIKeyNVJOGJHYQBGPTE-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.14
Rot. Bonds5

About butoxysilane;1-hydroxyethyl prop-2-enoate

butoxysilane;1-hydroxyethyl prop-2-enoate (PubChem CID 175476207) has the molecular formula C9H20O4Si and a molecular weight of 220.34 g/mol. Its IUPAC name is butoxysilane;1-hydroxyethyl prop-2-enoate.

Molecular Properties

Compound Namebutoxysilane;1-hydroxyethyl prop-2-enoate
PubChem CID175476207
Molecular FormulaC9H20O4Si
Molecular Weight220.34 g/mol
Exact Mass220.11
IUPAC Namebutoxysilane;1-hydroxyethyl prop-2-enoate
SMILESC=CC(=O)OC(C)O.CCCCO[SiH3]
InChIInChI=1S/C5H8O3.C4H12OSi/c1-3-5(7)8-4(2)6;1-2-3-4-5-6/h3-4,6H,1H2,2H3;2-4H2,1,6H3
InChIKeyNVJOGJHYQBGPTE-UHFFFAOYSA-N
XLogP0.14
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

butyl 3-prop-2-enoyloxybutanoate
CID 90254320
4-hydroxyoctyl prop-2-enoate
CID 142754995
[(E)-3-methyloct-2-en-4-yl] prop-2-enoate
CID 11241024
tridecan-5-yl prop-2-enoate
CID 141073146
1-hydroxyoctyl prop-2-enoate
CID 22340227
1-[1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate
CID 21458420
3,3-dihydroxy-2-methylpropanoic acid;1-hydroxyethyl prop-2-enoate
CID 174945247
1-[4-(1-prop-2-enoyloxyethylsulfanyl)butylsulfanyl]ethyl prop-2-enoate
CID 23044367
1-(butoxycarbonylamino)propan-2-yl prop-2-enoate
CID 141221847
butyl prop-2-enoate;methyl(silyloxy)silane
CID 173404202
decyl-dimethyl-(1-prop-2-enoyloxyethyl)azanium
CID 171783669
dimethyl-pentyl-(1-prop-2-enoyloxyethyl)azanium chloride
CID 171783670

Frequently Asked Questions

What is the IUPAC name of butoxysilane;1-hydroxyethyl prop-2-enoate?
The IUPAC name of butoxysilane;1-hydroxyethyl prop-2-enoate (CID 175476207) is butoxysilane;1-hydroxyethyl prop-2-enoate.
What is the SMILES notation for butoxysilane;1-hydroxyethyl prop-2-enoate?
The canonical SMILES for butoxysilane;1-hydroxyethyl prop-2-enoate is C=CC(=O)OC(C)O.CCCCO[SiH3].
What is the InChIKey of butoxysilane;1-hydroxyethyl prop-2-enoate?
The InChIKey is NVJOGJHYQBGPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.C4H12OSi/c1-3-5(7)8-4(2)6;1-2-3-4-5-6/h3-4,6H,1H2,2H3;2-4H2,1,6H3.
What are the key properties of butoxysilane;1-hydroxyethyl prop-2-enoate?
butoxysilane;1-hydroxyethyl prop-2-enoate has a molecular weight of 220.34 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butoxysilane;1-hydroxyethyl prop-2-enoate is sourced from PubChem (CID 175476207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).