[5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] benzoate

C18H30O4Si — CID 175572844

IUPAC[5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] benzoate
SMILESCC(C)(C)[Si](C)(C)OCC(O)CCCOC(=O)c1ccccc1
InChIInChI=1S/C18H30O4Si/c1-18(2,3)23(4,5)22-14-16(19)12-9-13-21-17(20)15-10-7-6-8-11-15/h6-8,10-11,16,19H,9,12-14H2,1-5H3
InChIKeyFLJRRBDWLMFWLF-UHFFFAOYSA-N
MW338.52 g/mol
LogP4.01
Rot. Bonds8

About [5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] benzoate

[5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] benzoate (PubChem CID 175572844) has the molecular formula C18H30O4Si and a molecular weight of 338.52 g/mol. Its IUPAC name is [5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] benzoate.

Molecular Properties

Compound Name[5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] benzoate
PubChem CID175572844
Molecular FormulaC18H30O4Si
Molecular Weight338.52 g/mol
Exact Mass338.19
IUPAC Name[5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] benzoate
SMILESCC(C)(C)[Si](C)(C)OCC(O)CCCOC(=O)c1ccccc1
InChIInChI=1S/C18H30O4Si/c1-18(2,3)23(4,5)22-14-16(19)12-9-13-21-17(20)15-10-7-6-8-11-15/h6-8,10-11,16,19H,9,12-14H2,1-5H3
InChIKeyFLJRRBDWLMFWLF-UHFFFAOYSA-N
XLogP4.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-[tert-butyl(dimethyl)silyl]oxy-4-tri(propan-2-yl)silyloxypentyl] benzoate
CID 163284383
(10-hydroxy-11-triethylsilyloxyundecyl) benzoate
CID 102164878
[3-[tert-butyl(dimethyl)silyl]oxy-2-methoxypropyl] benzoate
CID 163284398
[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl] benzoate
CID 100980037
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutyl] benzoate
CID 11438668
benzoic acid;1-[tert-butyl(dimethyl)silyl]oxy-3-octadecoxypropan-2-ol
CID 175428188
4-methylheptyl benzoate
CID 163114376
4-bromopentyl benzoate
CID 11288720
(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylhept-2-en-1-one
CID 132520727
[(Z)-4-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-3-enyl] benzoate
CID 122384126
4,4-dimethylpentyl benzoate
CID 138733970

Frequently Asked Questions

What is the IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] benzoate?
The IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] benzoate (CID 175572844) is [5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] benzoate.
What is the SMILES notation for [5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] benzoate?
The canonical SMILES for [5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] benzoate is CC(C)(C)[Si](C)(C)OCC(O)CCCOC(=O)c1ccccc1.
What is the InChIKey of [5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] benzoate?
The InChIKey is FLJRRBDWLMFWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4Si/c1-18(2,3)23(4,5)22-14-16(19)12-9-13-21-17(20)15-10-7-6-8-11-15/h6-8,10-11,16,19H,9,12-14H2,1-5H3.
What are the key properties of [5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] benzoate?
[5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] benzoate has a molecular weight of 338.52 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentyl] benzoate is sourced from PubChem (CID 175572844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).