(2-hydroxy-7-triethoxysilylheptyl) prop-2-enoate

C16H32O6Si — CID 158810416

IUPAC(2-hydroxy-7-triethoxysilylheptyl) prop-2-enoate
SMILESC=CC(=O)OCC(O)CCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C16H32O6Si/c1-5-16(18)19-14-15(17)12-10-9-11-13-23(20-6-2,21-7-3)22-8-4/h5,15,17H,1,6-14H2,2-4H3
InChIKeyWKWQGTCONNVRSN-UHFFFAOYSA-N
MW348.51 g/mol
LogP2.69
Rot. Bonds15

About (2-hydroxy-7-triethoxysilylheptyl) prop-2-enoate

(2-hydroxy-7-triethoxysilylheptyl) prop-2-enoate (PubChem CID 158810416) has the molecular formula C16H32O6Si and a molecular weight of 348.51 g/mol. Its IUPAC name is (2-hydroxy-7-triethoxysilylheptyl) prop-2-enoate.

Molecular Properties

Compound Name(2-hydroxy-7-triethoxysilylheptyl) prop-2-enoate
PubChem CID158810416
Molecular FormulaC16H32O6Si
Molecular Weight348.51 g/mol
Exact Mass348.20
IUPAC Name(2-hydroxy-7-triethoxysilylheptyl) prop-2-enoate
SMILESC=CC(=O)OCC(O)CCCCC[Si](OCC)(OCC)OCC
InChIInChI=1S/C16H32O6Si/c1-5-16(18)19-14-15(17)12-10-9-11-13-23(20-6-2,21-7-3)22-8-4/h5,15,17H,1,6-14H2,2-4H3
InChIKeyWKWQGTCONNVRSN-UHFFFAOYSA-N
XLogP2.69
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.69
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

(2-hydroxy-6-triethoxysilylhexyl) carbamate
CID 154262289
6-triethoxysilylhexan-2-yl prop-2-enoate
CID 141250716
2-[diethoxy(undecyl)silyl]oxyethyl prop-2-enoate
CID 151648316
prop-2-enoic acid;3-triethoxysilylpropyl prop-2-enoate
CID 158718289
9-[ethoxy(dimethoxy)silyl]nonyl prop-2-enoate
CID 170945913
(4-hydroxy-5-prop-2-enoyloxypentyl) prop-2-enoate
CID 19429008
[2-hydroxy-3-(3-triethoxysilylpropylamino)propyl] prop-2-enoate;3-trimethoxysilylpropyl acetate
CID 87800382
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate
CID 87188845
7,9-dimethyl-1,15-bis(triethoxysilyl)pentadecan-8-one
CID 87594295
3-hydroxyheptadecyl prop-2-enoate
CID 89438234
2-octyldecyl prop-2-enoate
CID 71353023

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-7-triethoxysilylheptyl) prop-2-enoate?
The IUPAC name of (2-hydroxy-7-triethoxysilylheptyl) prop-2-enoate (CID 158810416) is (2-hydroxy-7-triethoxysilylheptyl) prop-2-enoate.
What is the SMILES notation for (2-hydroxy-7-triethoxysilylheptyl) prop-2-enoate?
The canonical SMILES for (2-hydroxy-7-triethoxysilylheptyl) prop-2-enoate is C=CC(=O)OCC(O)CCCCC[Si](OCC)(OCC)OCC.
What is the InChIKey of (2-hydroxy-7-triethoxysilylheptyl) prop-2-enoate?
The InChIKey is WKWQGTCONNVRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O6Si/c1-5-16(18)19-14-15(17)12-10-9-11-13-23(20-6-2,21-7-3)22-8-4/h5,15,17H,1,6-14H2,2-4H3.
What are the key properties of (2-hydroxy-7-triethoxysilylheptyl) prop-2-enoate?
(2-hydroxy-7-triethoxysilylheptyl) prop-2-enoate has a molecular weight of 348.51 g/mol, XLogP of 2.69, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-7-triethoxysilylheptyl) prop-2-enoate is sourced from PubChem (CID 158810416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).