4-(2-silyloxypropan-2-yl)octyl 2-methylprop-2-enoate

C15H30O3Si — CID 173068945

IUPAC4-(2-silyloxypropan-2-yl)octyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC(CCCC)C(C)(C)O[SiH3]
InChIInChI=1S/C15H30O3Si/c1-6-7-9-13(15(4,5)18-19)10-8-11-17-14(16)12(2)3/h13H,2,6-11H2,1,3-5,19H3
InChIKeyDPMIPOOBGBWNLP-UHFFFAOYSA-N
MW286.49 g/mol
LogP2.77
Rot. Bonds10

About 4-(2-silyloxypropan-2-yl)octyl 2-methylprop-2-enoate

4-(2-silyloxypropan-2-yl)octyl 2-methylprop-2-enoate (PubChem CID 173068945) has the molecular formula C15H30O3Si and a molecular weight of 286.49 g/mol. Its IUPAC name is 4-(2-silyloxypropan-2-yl)octyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-(2-silyloxypropan-2-yl)octyl 2-methylprop-2-enoate
PubChem CID173068945
Molecular FormulaC15H30O3Si
Molecular Weight286.49 g/mol
Exact Mass286.20
IUPAC Name4-(2-silyloxypropan-2-yl)octyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCC(CCCC)C(C)(C)O[SiH3]
InChIInChI=1S/C15H30O3Si/c1-6-7-9-13(15(4,5)18-19)10-8-11-17-14(16)12(2)3/h13H,2,6-11H2,1,3-5,19H3
InChIKeyDPMIPOOBGBWNLP-UHFFFAOYSA-N
XLogP2.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 52.77
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

4-tert-butyldodecyl 2-methylprop-2-enoate
CID 151688147
4-ethyloctyl 2-methylprop-2-enoate
CID 57022473
4-(3-ethylpentan-3-yl)dodecyl 2-methylprop-2-enoate
CID 151684910
3-(2-bromopropan-2-yl)heptadecyl 2-methylprop-2-enoate
CID 141440085
butyl 2-methylprop-2-enoate;ethene
CID 158758814
butyl 2-methylprop-2-enoate;methane
CID 159646333
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
[4-[3-(2-methylprop-2-enoyloxy)propyl]-5-silyloxyoctyl] 2-methylprop-2-enoate
CID 173329049
tributyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphanium
CID 20776618
octatetracontyl 2-methylprop-2-enoate
CID 141233444
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054

Frequently Asked Questions

What is the IUPAC name of 4-(2-silyloxypropan-2-yl)octyl 2-methylprop-2-enoate?
The IUPAC name of 4-(2-silyloxypropan-2-yl)octyl 2-methylprop-2-enoate (CID 173068945) is 4-(2-silyloxypropan-2-yl)octyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-(2-silyloxypropan-2-yl)octyl 2-methylprop-2-enoate?
The canonical SMILES for 4-(2-silyloxypropan-2-yl)octyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCC(CCCC)C(C)(C)O[SiH3].
What is the InChIKey of 4-(2-silyloxypropan-2-yl)octyl 2-methylprop-2-enoate?
The InChIKey is DPMIPOOBGBWNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3Si/c1-6-7-9-13(15(4,5)18-19)10-8-11-17-14(16)12(2)3/h13H,2,6-11H2,1,3-5,19H3.
What are the key properties of 4-(2-silyloxypropan-2-yl)octyl 2-methylprop-2-enoate?
4-(2-silyloxypropan-2-yl)octyl 2-methylprop-2-enoate has a molecular weight of 286.49 g/mol, XLogP of 2.77, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-silyloxypropan-2-yl)octyl 2-methylprop-2-enoate is sourced from PubChem (CID 173068945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).