5-(2,2-dimethoxyethylsilyl)pentyl 2-methylprop-2-enoate

C13H26O4Si — CID 154399955

IUPAC5-(2,2-dimethoxyethylsilyl)pentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCC[SiH2]CC(OC)OC
InChIInChI=1S/C13H26O4Si/c1-11(2)13(14)17-8-6-5-7-9-18-10-12(15-3)16-4/h12H,1,5-10,18H2,2-4H3
InChIKeyNXNGVHWKBGWHBC-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.90
Rot. Bonds11

About 5-(2,2-dimethoxyethylsilyl)pentyl 2-methylprop-2-enoate

5-(2,2-dimethoxyethylsilyl)pentyl 2-methylprop-2-enoate (PubChem CID 154399955) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is 5-(2,2-dimethoxyethylsilyl)pentyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name5-(2,2-dimethoxyethylsilyl)pentyl 2-methylprop-2-enoate
PubChem CID154399955
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name5-(2,2-dimethoxyethylsilyl)pentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCC[SiH2]CC(OC)OC
InChIInChI=1S/C13H26O4Si/c1-11(2)13(14)17-8-6-5-7-9-18-10-12(15-3)16-4/h12H,1,5-10,18H2,2-4H3
InChIKeyNXNGVHWKBGWHBC-UHFFFAOYSA-N
XLogP1.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.90
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-[3-(2-methylprop-2-enoyloxy)propylsilyl]propyl 2-methylprop-2-enoate
CID 175549235
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
17-(diiodomethylsilyl)heptadecyl 2-methylprop-2-enoate
CID 172739962
7-(dichloromethylsilyl)heptyl 2-methylprop-2-enoate
CID 172804867
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
10-phosphanyldecyl 2-methylprop-2-enoate
CID 174956599
10-trimethoxysilyldecyl 2-methylprop-2-enoate
CID 14325398
6-methylheptyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 175749007
5-methoxyhexyl 2-methylprop-2-enoate
CID 164776175
octatetracontyl 2-methylprop-2-enoate
CID 141233444
10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
CID 176866150

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethoxyethylsilyl)pentyl 2-methylprop-2-enoate?
The IUPAC name of 5-(2,2-dimethoxyethylsilyl)pentyl 2-methylprop-2-enoate (CID 154399955) is 5-(2,2-dimethoxyethylsilyl)pentyl 2-methylprop-2-enoate.
What is the SMILES notation for 5-(2,2-dimethoxyethylsilyl)pentyl 2-methylprop-2-enoate?
The canonical SMILES for 5-(2,2-dimethoxyethylsilyl)pentyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCC[SiH2]CC(OC)OC.
What is the InChIKey of 5-(2,2-dimethoxyethylsilyl)pentyl 2-methylprop-2-enoate?
The InChIKey is NXNGVHWKBGWHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-11(2)13(14)17-8-6-5-7-9-18-10-12(15-3)16-4/h12H,1,5-10,18H2,2-4H3.
What are the key properties of 5-(2,2-dimethoxyethylsilyl)pentyl 2-methylprop-2-enoate?
5-(2,2-dimethoxyethylsilyl)pentyl 2-methylprop-2-enoate has a molecular weight of 274.43 g/mol, XLogP of 1.90, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethoxyethylsilyl)pentyl 2-methylprop-2-enoate is sourced from PubChem (CID 154399955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).