prop-1-en-2-yl 4-[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]butanoate

C18H34O5Si2 — CID 59281013

IUPACprop-1-en-2-yl 4-[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]butanoate
SMILESC=C(C)OC(=O)CCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(=C)C
InChIInChI=1S/C18H34O5Si2/c1-15(2)18(20)21-12-10-14-25(7,8)23-24(5,6)13-9-11-17(19)22-16(3)4/h1,3,9-14H2,2,4-8H3
InChIKeyISJMETCMIBFKOM-UHFFFAOYSA-N
MW386.64 g/mol
LogP4.78
Rot. Bonds12

About prop-1-en-2-yl 4-[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]butanoate

prop-1-en-2-yl 4-[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]butanoate (PubChem CID 59281013) has the molecular formula C18H34O5Si2 and a molecular weight of 386.64 g/mol. Its IUPAC name is prop-1-en-2-yl 4-[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]butanoate.

Molecular Properties

Compound Nameprop-1-en-2-yl 4-[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]butanoate
PubChem CID59281013
Molecular FormulaC18H34O5Si2
Molecular Weight386.64 g/mol
Exact Mass386.19
IUPAC Nameprop-1-en-2-yl 4-[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]butanoate
SMILESC=C(C)OC(=O)CCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(=C)C
InChIInChI=1S/C18H34O5Si2/c1-15(2)18(20)21-12-10-14-25(7,8)23-24(5,6)13-9-11-17(19)22-16(3)4/h1,3,9-14H2,2,4-8H3
InChIKeyISJMETCMIBFKOM-UHFFFAOYSA-N
XLogP4.78
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.64
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-[[3-methoxypropyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 59651344
3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 22094222
3-[[dimethyl(2-trimethylsilylethyl)silyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate;tetramethylsilane
CID 157121683
carbon dioxide;3-[[[dimethyl(4-methylpent-4-enyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 158834498
3-[2-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxyethoxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 156628189
3-[[[bis[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]-trimethylsilyloxysilyl]-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 21242018
3-[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 101031805
3-[dimethoxy(methyl)silyl]propyl 2-methylprop-2-enoate;3-[methoxy(dimethyl)silyl]propyl 2-methylprop-2-enoate
CID 87862843
3-[[[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethoxy]propyl]silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 164811987
CID 19429806
CID 19429806
3-[[[[ethenyl(dimethyl)silyl]oxy-dimethylsilyl]methyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 140713622
3-[[[[acetyloxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 11826747

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl 4-[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]butanoate?
The IUPAC name of prop-1-en-2-yl 4-[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]butanoate (CID 59281013) is prop-1-en-2-yl 4-[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]butanoate.
What is the SMILES notation for prop-1-en-2-yl 4-[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]butanoate?
The canonical SMILES for prop-1-en-2-yl 4-[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]butanoate is C=C(C)OC(=O)CCC[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(=C)C.
What is the InChIKey of prop-1-en-2-yl 4-[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]butanoate?
The InChIKey is ISJMETCMIBFKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O5Si2/c1-15(2)18(20)21-12-10-14-25(7,8)23-24(5,6)13-9-11-17(19)22-16(3)4/h1,3,9-14H2,2,4-8H3.
What are the key properties of prop-1-en-2-yl 4-[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]butanoate?
prop-1-en-2-yl 4-[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]butanoate has a molecular weight of 386.64 g/mol, XLogP of 4.78, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl 4-[[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxy-dimethylsilyl]butanoate is sourced from PubChem (CID 59281013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).