11-(ethoxy-methyl-propan-2-yloxysilyl)undecyl prop-2-enoate

C20H40O4Si — CID 141479415

IUPAC11-(ethoxy-methyl-propan-2-yloxysilyl)undecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCC[Si](C)(OCC)OC(C)C
InChIInChI=1S/C20H40O4Si/c1-6-20(21)22-17-15-13-11-9-8-10-12-14-16-18-25(5,23-7-2)24-19(3)4/h6,19H,1,7-18H2,2-5H3
InChIKeyDANHPNUDPTWSOC-UHFFFAOYSA-N
MW372.62 g/mol
LogP5.76
Rot. Bonds17

About 11-(ethoxy-methyl-propan-2-yloxysilyl)undecyl prop-2-enoate

11-(ethoxy-methyl-propan-2-yloxysilyl)undecyl prop-2-enoate (PubChem CID 141479415) has the molecular formula C20H40O4Si and a molecular weight of 372.62 g/mol. Its IUPAC name is 11-(ethoxy-methyl-propan-2-yloxysilyl)undecyl prop-2-enoate.

Molecular Properties

Compound Name11-(ethoxy-methyl-propan-2-yloxysilyl)undecyl prop-2-enoate
PubChem CID141479415
Molecular FormulaC20H40O4Si
Molecular Weight372.62 g/mol
Exact Mass372.27
IUPAC Name11-(ethoxy-methyl-propan-2-yloxysilyl)undecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCC[Si](C)(OCC)OC(C)C
InChIInChI=1S/C20H40O4Si/c1-6-20(21)22-17-15-13-11-9-8-10-12-14-16-18-25(5,23-7-2)24-19(3)4/h6,19H,1,7-18H2,2-5H3
InChIKeyDANHPNUDPTWSOC-UHFFFAOYSA-N
XLogP5.76
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.62
LogP ≤ 55.76
H-Bond Donors ≤ 50
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(ethoxy-methyl-propan-2-yloxysilyl)propyl prop-2-enoate
CID 140990688
4-tri(propan-2-yloxy)silylbutyl prop-2-enoate
CID 141323279
9-[ethoxy(dimethoxy)silyl]nonyl prop-2-enoate
CID 170945913
4-[dibutyl(ethoxy)silyl]butyl prop-2-enoate
CID 150064370
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate
CID 87188845
4-[dimethyl(2-methylpropyl)silyl]butyl prop-2-enoate
CID 150833638
4-[ethoxy(dimethyl)silyl]pentyl prop-2-enoate
CID 141445425
5-[dichloro(methyl)silyl]pentyl prop-2-enoate
CID 171535330
3-[dibutoxy(methyl)silyl]propyl prop-2-enoate
CID 21432061
8-[methoxy(dimethyl)silyl]octyl prop-2-enoate
CID 140662219
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232

Frequently Asked Questions

What is the IUPAC name of 11-(ethoxy-methyl-propan-2-yloxysilyl)undecyl prop-2-enoate?
The IUPAC name of 11-(ethoxy-methyl-propan-2-yloxysilyl)undecyl prop-2-enoate (CID 141479415) is 11-(ethoxy-methyl-propan-2-yloxysilyl)undecyl prop-2-enoate.
What is the SMILES notation for 11-(ethoxy-methyl-propan-2-yloxysilyl)undecyl prop-2-enoate?
The canonical SMILES for 11-(ethoxy-methyl-propan-2-yloxysilyl)undecyl prop-2-enoate is C=CC(=O)OCCCCCCCCCCC[Si](C)(OCC)OC(C)C.
What is the InChIKey of 11-(ethoxy-methyl-propan-2-yloxysilyl)undecyl prop-2-enoate?
The InChIKey is DANHPNUDPTWSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O4Si/c1-6-20(21)22-17-15-13-11-9-8-10-12-14-16-18-25(5,23-7-2)24-19(3)4/h6,19H,1,7-18H2,2-5H3.
What are the key properties of 11-(ethoxy-methyl-propan-2-yloxysilyl)undecyl prop-2-enoate?
11-(ethoxy-methyl-propan-2-yloxysilyl)undecyl prop-2-enoate has a molecular weight of 372.62 g/mol, XLogP of 5.76, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(ethoxy-methyl-propan-2-yloxysilyl)undecyl prop-2-enoate is sourced from PubChem (CID 141479415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).