2-(ethoxy-methoxy-propylsilyl)oxypropan-2-yl prop-2-enoate

C12H24O5Si — CID 175016838

IUPAC2-(ethoxy-methoxy-propylsilyl)oxypropan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)(C)O[Si](CCC)(OC)OCC
InChIInChI=1S/C12H24O5Si/c1-7-10-18(14-6,15-9-3)17-12(4,5)16-11(13)8-2/h8H,2,7,9-10H2,1,3-6H3
InChIKeyBYWIDCFCOGGQRW-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.50
Rot. Bonds9

About 2-(ethoxy-methoxy-propylsilyl)oxypropan-2-yl prop-2-enoate

2-(ethoxy-methoxy-propylsilyl)oxypropan-2-yl prop-2-enoate (PubChem CID 175016838) has the molecular formula C12H24O5Si and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-(ethoxy-methoxy-propylsilyl)oxypropan-2-yl prop-2-enoate.

Molecular Properties

Compound Name2-(ethoxy-methoxy-propylsilyl)oxypropan-2-yl prop-2-enoate
PubChem CID175016838
Molecular FormulaC12H24O5Si
Molecular Weight276.40 g/mol
Exact Mass276.14
IUPAC Name2-(ethoxy-methoxy-propylsilyl)oxypropan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)(C)O[Si](CCC)(OC)OCC
InChIInChI=1S/C12H24O5Si/c1-7-10-18(14-6,15-9-3)17-12(4,5)16-11(13)8-2/h8H,2,7,9-10H2,1,3-6H3
InChIKeyBYWIDCFCOGGQRW-UHFFFAOYSA-N
XLogP2.50
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

2-[diethoxy(ethyl)silyl]oxypentan-2-yl prop-2-enoate
CID 154370953
[dimethoxy(propyl)silyl]oxymethyl prop-2-enoate
CID 87123617
CID 166519746
CID 166519746
9-[ethoxy(dimethoxy)silyl]nonyl prop-2-enoate
CID 170945913
(methoxy-methylsilyloxy-propylsilyl) prop-2-enoate
CID 123229443
2-[3-[ethoxy(dimethoxy)silyl]propoxy]ethyl prop-2-enoate
CID 141313483
(3-tert-butyl-2,2,4,4-tetramethylpentan-3-yl) prop-2-enoate
CID 139994874
bis(2-prop-2-enoyloxypropan-2-yl) (Z)-but-2-enedioate
CID 88763675
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate
CID 87188845
2-[diethoxy(propyl)silyl]ethyl prop-2-enoate
CID 87194631
3-[(1,5-dihydroxy-3-methylpentan-3-yl)oxy-diethoxysilyl]propyl prop-2-enoate
CID 172786041
carbamic acid;triethoxy(propyl)silane
CID 175441799

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxy-methoxy-propylsilyl)oxypropan-2-yl prop-2-enoate?
The IUPAC name of 2-(ethoxy-methoxy-propylsilyl)oxypropan-2-yl prop-2-enoate (CID 175016838) is 2-(ethoxy-methoxy-propylsilyl)oxypropan-2-yl prop-2-enoate.
What is the SMILES notation for 2-(ethoxy-methoxy-propylsilyl)oxypropan-2-yl prop-2-enoate?
The canonical SMILES for 2-(ethoxy-methoxy-propylsilyl)oxypropan-2-yl prop-2-enoate is C=CC(=O)OC(C)(C)O[Si](CCC)(OC)OCC.
What is the InChIKey of 2-(ethoxy-methoxy-propylsilyl)oxypropan-2-yl prop-2-enoate?
The InChIKey is BYWIDCFCOGGQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5Si/c1-7-10-18(14-6,15-9-3)17-12(4,5)16-11(13)8-2/h8H,2,7,9-10H2,1,3-6H3.
What are the key properties of 2-(ethoxy-methoxy-propylsilyl)oxypropan-2-yl prop-2-enoate?
2-(ethoxy-methoxy-propylsilyl)oxypropan-2-yl prop-2-enoate has a molecular weight of 276.40 g/mol, XLogP of 2.50, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxy-methoxy-propylsilyl)oxypropan-2-yl prop-2-enoate is sourced from PubChem (CID 175016838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).