benzyl 10-[[tert-butyl(dimethyl)silyl]oxymethyl]icosanoate

C34H62O3Si — CID 142613828

IUPACbenzyl 10-[[tert-butyl(dimethyl)silyl]oxymethyl]icosanoate
SMILESCCCCCCCCCCC(CCCCCCCCC(=O)OCc1ccccc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H62O3Si/c1-7-8-9-10-11-12-15-19-26-32(30-37-38(5,6)34(2,3)4)27-20-16-13-14-17-23-28-33(35)36-29-31-24-21-18-22-25-31/h18,21-22,24-25,32H,7-17,19-20,23,26-30H2,1-6H3
InChIKeyYWBFJUGGYVGIMO-UHFFFAOYSA-N
MW546.95 g/mol
LogP11.02
Rot. Bonds23

About benzyl 10-[[tert-butyl(dimethyl)silyl]oxymethyl]icosanoate

benzyl 10-[[tert-butyl(dimethyl)silyl]oxymethyl]icosanoate (PubChem CID 142613828) has the molecular formula C34H62O3Si and a molecular weight of 546.95 g/mol. Its IUPAC name is benzyl 10-[[tert-butyl(dimethyl)silyl]oxymethyl]icosanoate.

Molecular Properties

Compound Namebenzyl 10-[[tert-butyl(dimethyl)silyl]oxymethyl]icosanoate
PubChem CID142613828
Molecular FormulaC34H62O3Si
Molecular Weight546.95 g/mol
Exact Mass546.45
IUPAC Namebenzyl 10-[[tert-butyl(dimethyl)silyl]oxymethyl]icosanoate
SMILESCCCCCCCCCCC(CCCCCCCCC(=O)OCc1ccccc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C34H62O3Si/c1-7-8-9-10-11-12-15-19-26-32(30-37-38(5,6)34(2,3)4)27-20-16-13-14-17-23-28-33(35)36-29-31-24-21-18-22-25-31/h18,21-22,24-25,32H,7-17,19-20,23,26-30H2,1-6H3
InChIKeyYWBFJUGGYVGIMO-UHFFFAOYSA-N
XLogP11.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.95
LogP ≤ 511.02
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'}

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Related Compounds

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benzyl decanoate;N,N-dimethylmethanamine
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CID 129279275
2-octyldecyl 4-phenylbutanoate
CID 129279236
[2-(octanoyloxymethyl)-7-phenylmethoxyheptyl] octanoate
CID 118165534
benzyl 6-hydroxydecanoate
CID 154601453
1-O-benzyl 11-O-butyl 2-octylundecanedioate
CID 90379164
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate
CID 11015240
8-O-benzyl 1-O-tert-butyl (2S)-2-aminooctanedioate
CID 163596511

Frequently Asked Questions

What is the IUPAC name of benzyl 10-[[tert-butyl(dimethyl)silyl]oxymethyl]icosanoate?
The IUPAC name of benzyl 10-[[tert-butyl(dimethyl)silyl]oxymethyl]icosanoate (CID 142613828) is benzyl 10-[[tert-butyl(dimethyl)silyl]oxymethyl]icosanoate.
What is the SMILES notation for benzyl 10-[[tert-butyl(dimethyl)silyl]oxymethyl]icosanoate?
The canonical SMILES for benzyl 10-[[tert-butyl(dimethyl)silyl]oxymethyl]icosanoate is CCCCCCCCCCC(CCCCCCCCC(=O)OCc1ccccc1)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of benzyl 10-[[tert-butyl(dimethyl)silyl]oxymethyl]icosanoate?
The InChIKey is YWBFJUGGYVGIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H62O3Si/c1-7-8-9-10-11-12-15-19-26-32(30-37-38(5,6)34(2,3)4)27-20-16-13-14-17-23-28-33(35)36-29-31-24-21-18-22-25-31/h18,21-22,24-25,32H,7-17,19-20,23,26-30H2,1-6H3.
What are the key properties of benzyl 10-[[tert-butyl(dimethyl)silyl]oxymethyl]icosanoate?
benzyl 10-[[tert-butyl(dimethyl)silyl]oxymethyl]icosanoate has a molecular weight of 546.95 g/mol, XLogP of 11.02, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 10-[[tert-butyl(dimethyl)silyl]oxymethyl]icosanoate is sourced from PubChem (CID 142613828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).