[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl] acetate

C17H28O3Si — CID 159421207

IUPAC[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28O3Si/c1-14(18)20-16-12-8-7-10-15(16)11-9-13-19-21(5,6)17(2,3)4/h7-8,10,12H,9,11,13H2,1-6H3
InChIKeyPUDCVSJMSRFIDY-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.57
Rot. Bonds6

About [2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl] acetate

[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl] acetate (PubChem CID 159421207) has the molecular formula C17H28O3Si and a molecular weight of 308.49 g/mol. Its IUPAC name is [2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl] acetate
PubChem CID159421207
Molecular FormulaC17H28O3Si
Molecular Weight308.49 g/mol
Exact Mass308.18
IUPAC Name[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28O3Si/c1-14(18)20-16-12-8-7-10-15(16)11-9-13-19-21(5,6)17(2,3)4/h7-8,10,12H,9,11,13H2,1-6H3
InChIKeyPUDCVSJMSRFIDY-UHFFFAOYSA-N
XLogP4.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.57
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': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 18788179
[2-[5-[5-(2-acetyloxyphenyl)pentylsulfanyl]pentyl]phenyl] acetate
CID 54261792
[2-(2,2-dimethylpropyl)phenyl] acetate
CID 167209036
2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde
CID 175203615
[2-[3-[4-[3-(2-acetyloxyphenyl)propyl]-2,4,6-trimethyl-6-[3-(2-prop-1-en-2-yloxyphenyl)propyl]-1,3,5,2,4,6-trioxatrisilinan-2-yl]propyl]phenyl] acetate
CID 59509864
[2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate
CID 15535714
[2-(oxiran-2-ylmethyl)phenyl] acetate
CID 14713764
methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxylate
CID 11001374
4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate
CID 11688619
(2-acetyloxyphenyl)methyl acetate
CID 10889107
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
[2-(2-chloro-2-oxoethyl)phenyl] acetate
CID 22613781

Frequently Asked Questions

What is the IUPAC name of [2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl] acetate?
The IUPAC name of [2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl] acetate (CID 159421207) is [2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl] acetate.
What is the SMILES notation for [2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl] acetate?
The canonical SMILES for [2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl] acetate is CC(=O)Oc1ccccc1CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl] acetate?
The InChIKey is PUDCVSJMSRFIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3Si/c1-14(18)20-16-12-8-7-10-15(16)11-9-13-19-21(5,6)17(2,3)4/h7-8,10,12H,9,11,13H2,1-6H3.
What are the key properties of [2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl] acetate?
[2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl] acetate has a molecular weight of 308.49 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]phenyl] acetate is sourced from PubChem (CID 159421207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).