3-[bis[[ethenyl(dimethyl)silyl]oxy]methylsilyl]propyl but-2-enoate

C16H32O4Si3 — CID 123266848

IUPAC3-[bis[[ethenyl(dimethyl)silyl]oxy]methylsilyl]propyl but-2-enoate
SMILESC=C[Si](C)(C)OC(O[Si](C)(C)C=C)[SiH2]CCCOC(=O)C=CC
InChIInChI=1S/C16H32O4Si3/c1-8-12-15(17)18-13-11-14-21-16(19-22(4,5)9-2)20-23(6,7)10-3/h8-10,12,16H,2-3,11,13-14,21H2,1,4-7H3
InChIKeyCJOJLVNFIRWGJM-UHFFFAOYSA-N
MW372.69 g/mol
LogP3.26
Rot. Bonds12

About 3-[bis[[ethenyl(dimethyl)silyl]oxy]methylsilyl]propyl but-2-enoate

3-[bis[[ethenyl(dimethyl)silyl]oxy]methylsilyl]propyl but-2-enoate (PubChem CID 123266848) has the molecular formula C16H32O4Si3 and a molecular weight of 372.69 g/mol. Its IUPAC name is 3-[bis[[ethenyl(dimethyl)silyl]oxy]methylsilyl]propyl but-2-enoate.

Molecular Properties

Compound Name3-[bis[[ethenyl(dimethyl)silyl]oxy]methylsilyl]propyl but-2-enoate
PubChem CID123266848
Molecular FormulaC16H32O4Si3
Molecular Weight372.69 g/mol
Exact Mass372.16
IUPAC Name3-[bis[[ethenyl(dimethyl)silyl]oxy]methylsilyl]propyl but-2-enoate
SMILESC=C[Si](C)(C)OC(O[Si](C)(C)C=C)[SiH2]CCCOC(=O)C=CC
InChIInChI=1S/C16H32O4Si3/c1-8-12-15(17)18-13-11-14-21-16(19-22(4,5)9-2)20-23(6,7)10-3/h8-10,12,16H,2-3,11,13-14,21H2,1,4-7H3
InChIKeyCJOJLVNFIRWGJM-UHFFFAOYSA-N
XLogP3.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.69
LogP ≤ 53.26
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[bis[[ethenyl(dimethyl)silyl]oxy]-methylsilyl]propyl but-2-enoate
CID 57240407
3-(dichloromethylsilyl)propyl but-2-enoate
CID 123765087
4-(difluoromethylsilyl)butyl but-2-enoate
CID 174105991
16-(difluoromethylsilyl)hexadecyl but-2-enoate
CID 174105855
19-[bromo(dimethyl)silyl]nonadecyl but-2-enoate
CID 174106044
3-tri(propan-2-yl)silylpropyl but-2-enoate
CID 91430273
4-[fluoro(dimethyl)silyl]butyl but-2-enoate
CID 174106106
4-hydroxypentyl (E)-but-2-enoate
CID 88654107
5-[chloro(dimethyl)silyl]pentyl but-2-enoate
CID 174106073
4-[bis(trimethylsilyloxy)methylsilyl]butyl 3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 154327544
9-tri(propan-2-yloxy)silylnonyl but-2-enoate
CID 174208897
dodecyl (E)-but-2-enoate
CID 5462914

Frequently Asked Questions

What is the IUPAC name of 3-[bis[[ethenyl(dimethyl)silyl]oxy]methylsilyl]propyl but-2-enoate?
The IUPAC name of 3-[bis[[ethenyl(dimethyl)silyl]oxy]methylsilyl]propyl but-2-enoate (CID 123266848) is 3-[bis[[ethenyl(dimethyl)silyl]oxy]methylsilyl]propyl but-2-enoate.
What is the SMILES notation for 3-[bis[[ethenyl(dimethyl)silyl]oxy]methylsilyl]propyl but-2-enoate?
The canonical SMILES for 3-[bis[[ethenyl(dimethyl)silyl]oxy]methylsilyl]propyl but-2-enoate is C=C[Si](C)(C)OC(O[Si](C)(C)C=C)[SiH2]CCCOC(=O)C=CC.
What is the InChIKey of 3-[bis[[ethenyl(dimethyl)silyl]oxy]methylsilyl]propyl but-2-enoate?
The InChIKey is CJOJLVNFIRWGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4Si3/c1-8-12-15(17)18-13-11-14-21-16(19-22(4,5)9-2)20-23(6,7)10-3/h8-10,12,16H,2-3,11,13-14,21H2,1,4-7H3.
What are the key properties of 3-[bis[[ethenyl(dimethyl)silyl]oxy]methylsilyl]propyl but-2-enoate?
3-[bis[[ethenyl(dimethyl)silyl]oxy]methylsilyl]propyl but-2-enoate has a molecular weight of 372.69 g/mol, XLogP of 3.26, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis[[ethenyl(dimethyl)silyl]oxy]methylsilyl]propyl but-2-enoate is sourced from PubChem (CID 123266848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).