propan-2-yl 3-[2-(3-trimethylsilyloxypent-4-ynoxy)phenyl]propanoate

C20H30O4Si — CID 175152117

IUPACpropan-2-yl 3-[2-(3-trimethylsilyloxypent-4-ynoxy)phenyl]propanoate
SMILESC#CC(CCOc1ccccc1CCC(=O)OC(C)C)O[Si](C)(C)C
InChIInChI=1S/C20H30O4Si/c1-7-18(24-25(4,5)6)14-15-22-19-11-9-8-10-17(19)12-13-20(21)23-16(2)3/h1,8-11,16,18H,12-15H2,2-6H3
InChIKeyIMQDVVMRXHFVPA-UHFFFAOYSA-N
MW362.54 g/mol
LogP4.19
Rot. Bonds10

About propan-2-yl 3-[2-(3-trimethylsilyloxypent-4-ynoxy)phenyl]propanoate

propan-2-yl 3-[2-(3-trimethylsilyloxypent-4-ynoxy)phenyl]propanoate (PubChem CID 175152117) has the molecular formula C20H30O4Si and a molecular weight of 362.54 g/mol. Its IUPAC name is propan-2-yl 3-[2-(3-trimethylsilyloxypent-4-ynoxy)phenyl]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[2-(3-trimethylsilyloxypent-4-ynoxy)phenyl]propanoate
PubChem CID175152117
Molecular FormulaC20H30O4Si
Molecular Weight362.54 g/mol
Exact Mass362.19
IUPAC Namepropan-2-yl 3-[2-(3-trimethylsilyloxypent-4-ynoxy)phenyl]propanoate
SMILESC#CC(CCOc1ccccc1CCC(=O)OC(C)C)O[Si](C)(C)C
InChIInChI=1S/C20H30O4Si/c1-7-18(24-25(4,5)6)14-15-22-19-11-9-8-10-17(19)12-13-20(21)23-16(2)3/h1,8-11,16,18H,12-15H2,2-6H3
InChIKeyIMQDVVMRXHFVPA-UHFFFAOYSA-N
XLogP4.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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propan-2-yl 3-[2-[5-(3-nitrophenyl)-3-oxopent-4-enoxy]phenyl]propanoate
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(2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate
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propan-2-yl 3-[2-[(Z)-5-[3-(benzenesulfonamido)phenyl]pent-4-enoxy]phenyl]propanoate
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[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
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[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
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3-[2-(2-methylpropoxy)phenyl]propanoic acid
CID 82161462
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 8956013
3-[2-[2-(dimethylamino)ethoxy]phenyl]propanoyl chloride
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5-O-but-3-yn-2-yl 1-O-(2-ethylphenyl) pentanedioate
CID 91707471

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[2-(3-trimethylsilyloxypent-4-ynoxy)phenyl]propanoate?
The IUPAC name of propan-2-yl 3-[2-(3-trimethylsilyloxypent-4-ynoxy)phenyl]propanoate (CID 175152117) is propan-2-yl 3-[2-(3-trimethylsilyloxypent-4-ynoxy)phenyl]propanoate.
What is the SMILES notation for propan-2-yl 3-[2-(3-trimethylsilyloxypent-4-ynoxy)phenyl]propanoate?
The canonical SMILES for propan-2-yl 3-[2-(3-trimethylsilyloxypent-4-ynoxy)phenyl]propanoate is C#CC(CCOc1ccccc1CCC(=O)OC(C)C)O[Si](C)(C)C.
What is the InChIKey of propan-2-yl 3-[2-(3-trimethylsilyloxypent-4-ynoxy)phenyl]propanoate?
The InChIKey is IMQDVVMRXHFVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4Si/c1-7-18(24-25(4,5)6)14-15-22-19-11-9-8-10-17(19)12-13-20(21)23-16(2)3/h1,8-11,16,18H,12-15H2,2-6H3.
What are the key properties of propan-2-yl 3-[2-(3-trimethylsilyloxypent-4-ynoxy)phenyl]propanoate?
propan-2-yl 3-[2-(3-trimethylsilyloxypent-4-ynoxy)phenyl]propanoate has a molecular weight of 362.54 g/mol, XLogP of 4.19, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[2-(3-trimethylsilyloxypent-4-ynoxy)phenyl]propanoate is sourced from PubChem (CID 175152117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).