(4-hydroxy-5-trimethoxysilylpentyl) prop-2-enoate

C11H22O6Si — CID 88656819

IUPAC(4-hydroxy-5-trimethoxysilylpentyl) prop-2-enoate
SMILESC=CC(=O)OCCCC(O)C[Si](OC)(OC)OC
InChIInChI=1S/C11H22O6Si/c1-5-11(13)17-8-6-7-10(12)9-18(14-2,15-3)16-4/h5,10,12H,1,6-9H2,2-4H3
InChIKeyPGLMGOCAEKRGJN-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.73
Rot. Bonds10

About (4-hydroxy-5-trimethoxysilylpentyl) prop-2-enoate

(4-hydroxy-5-trimethoxysilylpentyl) prop-2-enoate (PubChem CID 88656819) has the molecular formula C11H22O6Si and a molecular weight of 278.38 g/mol. Its IUPAC name is (4-hydroxy-5-trimethoxysilylpentyl) prop-2-enoate.

Molecular Properties

Compound Name(4-hydroxy-5-trimethoxysilylpentyl) prop-2-enoate
PubChem CID88656819
Molecular FormulaC11H22O6Si
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name(4-hydroxy-5-trimethoxysilylpentyl) prop-2-enoate
SMILESC=CC(=O)OCCCC(O)C[Si](OC)(OC)OC
InChIInChI=1S/C11H22O6Si/c1-5-11(13)17-8-6-7-10(12)9-18(14-2,15-3)16-4/h5,10,12H,1,6-9H2,2-4H3
InChIKeyPGLMGOCAEKRGJN-UHFFFAOYSA-N
XLogP0.73
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.73
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

4-hydroxyoctyl prop-2-enoate
CID 142754995
(4-hydroxy-5-prop-2-enoyloxypentyl) prop-2-enoate
CID 19429008
3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630
(5-chloro-4-hydroxypentyl) prop-2-enoate
CID 173355763
3-[[dimethoxy(3-prop-2-enoyloxypropyl)silyl]oxy-dimethoxysilyl]propyl prop-2-enoate
CID 18468769
phosphoric acid;3-trimethoxysilylpropyl prop-2-enoate
CID 174981814
3-[3-(2-trimethoxysilylethoxy)propoxy]propyl prop-2-enoate
CID 171586982
4,4-bis(2-methoxyethoxy)butyl prop-2-enoate
CID 87318411
[(4R)-4-triethylsilyloxypentyl] prop-2-enoate
CID 141157496
4-methylhexyl prop-2-enoate
CID 58980362
4-aminohexyl prop-2-enoate
CID 91140688
2-[2-(2-trimethoxysilylethoxy)ethoxy]ethyl prop-2-enoate
CID 171586967

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-5-trimethoxysilylpentyl) prop-2-enoate?
The IUPAC name of (4-hydroxy-5-trimethoxysilylpentyl) prop-2-enoate (CID 88656819) is (4-hydroxy-5-trimethoxysilylpentyl) prop-2-enoate.
What is the SMILES notation for (4-hydroxy-5-trimethoxysilylpentyl) prop-2-enoate?
The canonical SMILES for (4-hydroxy-5-trimethoxysilylpentyl) prop-2-enoate is C=CC(=O)OCCCC(O)C[Si](OC)(OC)OC.
What is the InChIKey of (4-hydroxy-5-trimethoxysilylpentyl) prop-2-enoate?
The InChIKey is PGLMGOCAEKRGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O6Si/c1-5-11(13)17-8-6-7-10(12)9-18(14-2,15-3)16-4/h5,10,12H,1,6-9H2,2-4H3.
What are the key properties of (4-hydroxy-5-trimethoxysilylpentyl) prop-2-enoate?
(4-hydroxy-5-trimethoxysilylpentyl) prop-2-enoate has a molecular weight of 278.38 g/mol, XLogP of 0.73, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-5-trimethoxysilylpentyl) prop-2-enoate is sourced from PubChem (CID 88656819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).