[(2R)-3-trichlorosilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate

C9H15Cl3O3Si — CID 10780938

IUPAC[(2R)-3-trichlorosilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate
SMILESC=C(O[Si](Cl)(Cl)Cl)[C@@H](C)OC(=O)C(C)(C)C
InChIInChI=1S/C9H15Cl3O3Si/c1-6(7(2)15-16(10,11)12)14-8(13)9(3,4)5/h6H,2H2,1,3-5H3/t6-/m1/s1
InChIKeyPWAXUAQNGMLQPT-ZCFIWIBFSA-N
MW305.66 g/mol
LogP3.65
Rot. Bonds4

About [(2R)-3-trichlorosilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate

[(2R)-3-trichlorosilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate (PubChem CID 10780938) has the molecular formula C9H15Cl3O3Si and a molecular weight of 305.66 g/mol. Its IUPAC name is [(2R)-3-trichlorosilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2R)-3-trichlorosilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate
PubChem CID10780938
Molecular FormulaC9H15Cl3O3Si
Molecular Weight305.66 g/mol
Exact Mass303.99
IUPAC Name[(2R)-3-trichlorosilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate
SMILESC=C(O[Si](Cl)(Cl)Cl)[C@@H](C)OC(=O)C(C)(C)C
InChIInChI=1S/C9H15Cl3O3Si/c1-6(7(2)15-16(10,11)12)14-8(13)9(3,4)5/h6H,2H2,1,3-5H3/t6-/m1/s1
InChIKeyPWAXUAQNGMLQPT-ZCFIWIBFSA-N
XLogP3.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.66
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

trichloro(3-methylbut-1-en-2-yloxy)silane
CID 10846540
[(2S)-1-chloro-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 18639920
[(2R)-1-(2,2-dimethylpropanoyloxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 59581101
[(1S)-1-chloroethyl] 2,2-dimethylpropanoate
CID 92939031
1-[(2-methylpropan-2-yl)oxy]ethyl 2,2-dimethylpropanoate
CID 59371128
1-ethoxycarbonyloxyethyl 2,2-dimethylpropanoate
CID 89402327
1-acetyloxyethyl 2,2-dimethylpropanoate;3,3-dimethylbutan-2-one
CID 158576596
diaminomethyl 2,2-dimethylpropanoate
CID 163435332
3-(2,2-dimethylpropanoyloxy)-2,2-difluorobutanoic acid
CID 164747254
1-oxopropan-2-yl 2,2-dimethylpropanoate
CID 87537011
[(Z,2R)-3,6-dihydroxy-6-methyl-3-prop-1-en-2-ylhept-4-en-2-yl] 2,2-dimethylpropanoate
CID 101035758
[(2S,5S)-5-chlorohexan-2-yl] 2,2-dimethylpropanoate
CID 102352469

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-trichlorosilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate?
The IUPAC name of [(2R)-3-trichlorosilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate (CID 10780938) is [(2R)-3-trichlorosilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2R)-3-trichlorosilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2R)-3-trichlorosilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate is C=C(O[Si](Cl)(Cl)Cl)[C@@H](C)OC(=O)C(C)(C)C.
What is the InChIKey of [(2R)-3-trichlorosilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate?
The InChIKey is PWAXUAQNGMLQPT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H15Cl3O3Si/c1-6(7(2)15-16(10,11)12)14-8(13)9(3,4)5/h6H,2H2,1,3-5H3/t6-/m1/s1.
What are the key properties of [(2R)-3-trichlorosilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate?
[(2R)-3-trichlorosilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate has a molecular weight of 305.66 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-trichlorosilyloxybut-3-en-2-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 10780938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).