[(4R)-4-triethylsilyloxypentyl] prop-2-enoate

C14H28O3Si — CID 141157496

IUPAC[(4R)-4-triethylsilyloxypentyl] prop-2-enoate
SMILESC=CC(=O)OCCC[C@@H](C)O[Si](CC)(CC)CC
InChIInChI=1S/C14H28O3Si/c1-6-14(15)16-12-10-11-13(5)17-18(7-2,8-3)9-4/h6,13H,1,7-12H2,2-5H3/t13-/m1/s1
InChIKeyBNNRAFXXHPKULW-CYBMUJFWSA-N
MW272.46 g/mol
LogP3.91
Rot. Bonds10

About [(4R)-4-triethylsilyloxypentyl] prop-2-enoate

[(4R)-4-triethylsilyloxypentyl] prop-2-enoate (PubChem CID 141157496) has the molecular formula C14H28O3Si and a molecular weight of 272.46 g/mol. Its IUPAC name is [(4R)-4-triethylsilyloxypentyl] prop-2-enoate.

Molecular Properties

Compound Name[(4R)-4-triethylsilyloxypentyl] prop-2-enoate
PubChem CID141157496
Molecular FormulaC14H28O3Si
Molecular Weight272.46 g/mol
Exact Mass272.18
IUPAC Name[(4R)-4-triethylsilyloxypentyl] prop-2-enoate
SMILESC=CC(=O)OCCC[C@@H](C)O[Si](CC)(CC)CC
InChIInChI=1S/C14H28O3Si/c1-6-14(15)16-12-10-11-13(5)17-18(7-2,8-3)9-4/h6,13H,1,7-12H2,2-5H3/t13-/m1/s1
InChIKeyBNNRAFXXHPKULW-CYBMUJFWSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[bis(triethylsilyloxy)methoxysilyl]propyl prop-2-enoate
CID 152765382
4-methylhexyl prop-2-enoate
CID 58980362
3-[diethyl(silyloxy)silyl]propyl prop-2-enoate
CID 173150485
4-(dimethylamino)pentyl prop-2-enoate
CID 159489055
2-(5-prop-2-enoyloxypentan-2-yloxy)ethyl 2-methylbutanoate
CID 58040725
3-[diethyl(methoxy)silyl]propyl prop-2-enoate
CID 18331018
4-aminohexyl prop-2-enoate
CID 91140688
3-[diethyl(propan-2-yl)silyl]propyl prop-2-enoate
CID 141179132
2-triethylsilyloxyethyl prop-2-enoate
CID 54487061
4-[ethoxy(dimethyl)silyl]pentyl prop-2-enoate
CID 141445425
4-sulfanylhexyl prop-2-enoate
CID 141236879
4-hydroxyoctyl prop-2-enoate
CID 142754995

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-triethylsilyloxypentyl] prop-2-enoate?
The IUPAC name of [(4R)-4-triethylsilyloxypentyl] prop-2-enoate (CID 141157496) is [(4R)-4-triethylsilyloxypentyl] prop-2-enoate.
What is the SMILES notation for [(4R)-4-triethylsilyloxypentyl] prop-2-enoate?
The canonical SMILES for [(4R)-4-triethylsilyloxypentyl] prop-2-enoate is C=CC(=O)OCCC[C@@H](C)O[Si](CC)(CC)CC.
What is the InChIKey of [(4R)-4-triethylsilyloxypentyl] prop-2-enoate?
The InChIKey is BNNRAFXXHPKULW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H28O3Si/c1-6-14(15)16-12-10-11-13(5)17-18(7-2,8-3)9-4/h6,13H,1,7-12H2,2-5H3/t13-/m1/s1.
What are the key properties of [(4R)-4-triethylsilyloxypentyl] prop-2-enoate?
[(4R)-4-triethylsilyloxypentyl] prop-2-enoate has a molecular weight of 272.46 g/mol, XLogP of 3.91, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-triethylsilyloxypentyl] prop-2-enoate is sourced from PubChem (CID 141157496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).