[(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enyl] 2,4,6-trimethylbenzoate

C25H42O3Si — CID 10788191

IUPAC[(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enyl] 2,4,6-trimethylbenzoate
SMILESCC/C=C(\COC(=O)c1c(C)cc(C)cc1C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H42O3Si/c1-11-12-23(16-28-29(17(2)3,18(4)5)19(6)7)15-27-25(26)24-21(9)13-20(8)14-22(24)10/h12-14,17-19H,11,15-16H2,1-10H3/b23-12+
InChIKeyPNVKVOWROZMYPS-FSJBWODESA-N
MW418.69 g/mol
LogP7.30
Rot. Bonds10

About [(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enyl] 2,4,6-trimethylbenzoate

[(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enyl] 2,4,6-trimethylbenzoate (PubChem CID 10788191) has the molecular formula C25H42O3Si and a molecular weight of 418.69 g/mol. Its IUPAC name is [(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enyl] 2,4,6-trimethylbenzoate.

Molecular Properties

Compound Name[(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enyl] 2,4,6-trimethylbenzoate
PubChem CID10788191
Molecular FormulaC25H42O3Si
Molecular Weight418.69 g/mol
Exact Mass418.29
IUPAC Name[(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enyl] 2,4,6-trimethylbenzoate
SMILESCC/C=C(\COC(=O)c1c(C)cc(C)cc1C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C25H42O3Si/c1-11-12-23(16-28-29(17(2)3,18(4)5)19(6)7)15-27-25(26)24-21(9)13-20(8)14-22(24)10/h12-14,17-19H,11,15-16H2,1-10H3/b23-12+
InChIKeyPNVKVOWROZMYPS-FSJBWODESA-N
XLogP7.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.69
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl 2,4,6-trimethylbenzoate
CID 15783311
ethyl 2-hydroxy-4,6-dimethylbenzoate;ethyl 2,4,6-trimethylbenzoate
CID 159167019
[2-(4-fluoroanilino)-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7472999
1,3,5-trimethyl-2-[(Z)-pent-2-en-2-yl]benzene
CID 102094486
(2-anilino-2-oxoethyl) 2,4,6-trimethylbenzoate
CID 7472995
2-methylpent-2-enyl 2,6-bis(trifluoromethyl)benzoate
CID 143817709
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7472867
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7472786
[1-oxo-1-(propylamino)propan-2-yl] 2,4,6-trimethylbenzoate
CID 18169670
2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one
CID 43159904
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7473058
ethyl 2-ethoxy-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 68683222

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enyl] 2,4,6-trimethylbenzoate?
The IUPAC name of [(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enyl] 2,4,6-trimethylbenzoate (CID 10788191) is [(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enyl] 2,4,6-trimethylbenzoate.
What is the SMILES notation for [(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enyl] 2,4,6-trimethylbenzoate?
The canonical SMILES for [(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enyl] 2,4,6-trimethylbenzoate is CC/C=C(\COC(=O)c1c(C)cc(C)cc1C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enyl] 2,4,6-trimethylbenzoate?
The InChIKey is PNVKVOWROZMYPS-FSJBWODESA-N. The full InChI is InChI=1S/C25H42O3Si/c1-11-12-23(16-28-29(17(2)3,18(4)5)19(6)7)15-27-25(26)24-21(9)13-20(8)14-22(24)10/h12-14,17-19H,11,15-16H2,1-10H3/b23-12+.
What are the key properties of [(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enyl] 2,4,6-trimethylbenzoate?
[(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enyl] 2,4,6-trimethylbenzoate has a molecular weight of 418.69 g/mol, XLogP of 7.30, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[tri(propan-2-yl)silyloxymethyl]pent-2-enyl] 2,4,6-trimethylbenzoate is sourced from PubChem (CID 10788191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).