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

C12H24O4Si — CID 154270296

IUPAC5-(2,2-dimethoxyethylsilyl)pentyl prop-2-enoate
SMILESC=CC(=O)OCCCCC[SiH2]CC(OC)OC
InChIInChI=1S/C12H24O4Si/c1-4-11(13)16-8-6-5-7-9-17-10-12(14-2)15-3/h4,12H,1,5-10,17H2,2-3H3
InChIKeyYGAJFNVKTPLRPF-UHFFFAOYSA-N
MW260.41 g/mol
LogP1.51
Rot. Bonds11

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

5-(2,2-dimethoxyethylsilyl)pentyl prop-2-enoate (PubChem CID 154270296) has the molecular formula C12H24O4Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 5-(2,2-dimethoxyethylsilyl)pentyl prop-2-enoate.

Molecular Properties

Compound Name5-(2,2-dimethoxyethylsilyl)pentyl prop-2-enoate
PubChem CID154270296
Molecular FormulaC12H24O4Si
Molecular Weight260.41 g/mol
Exact Mass260.14
IUPAC Name5-(2,2-dimethoxyethylsilyl)pentyl prop-2-enoate
SMILESC=CC(=O)OCCCCC[SiH2]CC(OC)OC
InChIInChI=1S/C12H24O4Si/c1-4-11(13)16-8-6-5-7-9-17-10-12(14-2)15-3/h4,12H,1,5-10,17H2,2-3H3
InChIKeyYGAJFNVKTPLRPF-UHFFFAOYSA-N
XLogP1.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 51.51
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

4-(2,2-dipropoxyethylsilyl)butyl prop-2-enoate
CID 151173811
6-methoxysilylhexyl prop-2-enoate
CID 150247885
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
3-(1,2-dimethoxyethoxysilyl)propyl prop-2-enoate
CID 173117432
13-chlorosilyltridecyl prop-2-enoate
CID 175525518
14-(dichloromethylsilyl)tetradecyl prop-2-enoate
CID 172698392
4-methoxybutyl prop-2-enoate
CID 22321356
2-(2,2-diethoxyethylsilyl)ethyl prop-2-enoate
CID 154323498
4-(dichloromethylsilyl)butyl prop-2-enoate
CID 172852779
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethoxyethylsilyl)pentyl prop-2-enoate?
The IUPAC name of 5-(2,2-dimethoxyethylsilyl)pentyl prop-2-enoate (CID 154270296) is 5-(2,2-dimethoxyethylsilyl)pentyl prop-2-enoate.
What is the SMILES notation for 5-(2,2-dimethoxyethylsilyl)pentyl prop-2-enoate?
The canonical SMILES for 5-(2,2-dimethoxyethylsilyl)pentyl prop-2-enoate is C=CC(=O)OCCCCC[SiH2]CC(OC)OC.
What is the InChIKey of 5-(2,2-dimethoxyethylsilyl)pentyl prop-2-enoate?
The InChIKey is YGAJFNVKTPLRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4Si/c1-4-11(13)16-8-6-5-7-9-17-10-12(14-2)15-3/h4,12H,1,5-10,17H2,2-3H3.
What are the key properties of 5-(2,2-dimethoxyethylsilyl)pentyl prop-2-enoate?
5-(2,2-dimethoxyethylsilyl)pentyl prop-2-enoate has a molecular weight of 260.41 g/mol, XLogP of 1.51, 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 prop-2-enoate is sourced from PubChem (CID 154270296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).