3-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]propyl prop-2-enoate

C16H32O7Si — CID 172786041

IUPAC3-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](OCC)(OCC)OC(C)(CCO)CCO
InChIInChI=1S/C16H32O7Si/c1-5-15(19)20-13-8-14-24(21-6-2,22-7-3)23-16(4,9-11-17)10-12-18/h5,17-18H,1,6-14H2,2-4H3
InChIKeyOXDWYFFUTZCZCW-UHFFFAOYSA-N
MW364.51 g/mol
LogP1.66
Rot. Bonds15

About 3-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]propyl prop-2-enoate

3-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]propyl prop-2-enoate (PubChem CID 172786041) has the molecular formula C16H32O7Si and a molecular weight of 364.51 g/mol. Its IUPAC name is 3-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]propyl prop-2-enoate
PubChem CID172786041
Molecular FormulaC16H32O7Si
Molecular Weight364.51 g/mol
Exact Mass364.19
IUPAC Name3-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]propyl prop-2-enoate
SMILESC=CC(=O)OCCC[Si](OCC)(OCC)OC(C)(CCO)CCO
InChIInChI=1S/C16H32O7Si/c1-5-15(19)20-13-8-14-24(21-6-2,22-7-3)23-16(4,9-11-17)10-12-18/h5,17-18H,1,6-14H2,2-4H3
InChIKeyOXDWYFFUTZCZCW-UHFFFAOYSA-N
XLogP1.66
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate
CID 158718289
4-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]butanamide
CID 160531535
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate
CID 87188845
9-[ethoxy(dimethoxy)silyl]nonyl prop-2-enoate
CID 170945913
3-tripentoxysilylpropyl prop-2-enoate
CID 151204895
2-[diethoxy(undecyl)silyl]oxyethyl prop-2-enoate
CID 151648316
3-[diethoxy-[[3,5,7,9,11,13,15-heptakis(trimethylsilyloxy)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]oxy]silyl]propyl prop-2-enoate
CID 91151850
2-[3-[ethoxy(dimethoxy)silyl]propoxy]ethyl prop-2-enoate
CID 141313483
3-trimethoxysilylpropyl prop-2-enoate;hydrate
CID 141437630
bis(3-triethoxysilylpropyl) (Z)-but-2-enedioate
CID 140673134
4-[(4-amino-3,3-dimethylbutyl)-diethoxysilyl]oxy-4-methylheptane-1,7-diol
CID 87195185
3-[[dimethoxy(3-prop-2-enoyloxypropyl)silyl]oxy-dimethoxysilyl]propyl prop-2-enoate
CID 18468769

Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]propyl prop-2-enoate?
The IUPAC name of 3-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]propyl prop-2-enoate (CID 172786041) is 3-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]propyl prop-2-enoate.
What is the SMILES notation for 3-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]propyl prop-2-enoate?
The canonical SMILES for 3-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]propyl prop-2-enoate is C=CC(=O)OCCC[Si](OCC)(OCC)OC(C)(CCO)CCO.
What is the InChIKey of 3-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]propyl prop-2-enoate?
The InChIKey is OXDWYFFUTZCZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O7Si/c1-5-15(19)20-13-8-14-24(21-6-2,22-7-3)23-16(4,9-11-17)10-12-18/h5,17-18H,1,6-14H2,2-4H3.
What are the key properties of 3-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]propyl prop-2-enoate?
3-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]propyl prop-2-enoate has a molecular weight of 364.51 g/mol, XLogP of 1.66, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]propyl prop-2-enoate is sourced from PubChem (CID 172786041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).