2-[butyl(dimethyl)silyl]oxyhexadecanoic acid

C22H46O3Si — CID 87408863

IUPAC2-[butyl(dimethyl)silyl]oxyhexadecanoic acid
SMILESCCCCCCCCCCCCCCC(O[Si](C)(C)CCCC)C(=O)O
InChIInChI=1S/C22H46O3Si/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-21(22(23)24)25-26(3,4)20-8-6-2/h21H,5-20H2,1-4H3,(H,23,24)
InChIKeyOAPBPGJISCQEBP-UHFFFAOYSA-N
MW386.69 g/mol
LogP7.55
Rot. Bonds19

About 2-[butyl(dimethyl)silyl]oxyhexadecanoic acid

2-[butyl(dimethyl)silyl]oxyhexadecanoic acid (PubChem CID 87408863) has the molecular formula C22H46O3Si and a molecular weight of 386.69 g/mol. Its IUPAC name is 2-[butyl(dimethyl)silyl]oxyhexadecanoic acid.

Molecular Properties

Compound Name2-[butyl(dimethyl)silyl]oxyhexadecanoic acid
PubChem CID87408863
Molecular FormulaC22H46O3Si
Molecular Weight386.69 g/mol
Exact Mass386.32
IUPAC Name2-[butyl(dimethyl)silyl]oxyhexadecanoic acid
SMILESCCCCCCCCCCCCCCC(O[Si](C)(C)CCCC)C(=O)O
InChIInChI=1S/C22H46O3Si/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-21(22(23)24)25-26(3,4)20-8-6-2/h21H,5-20H2,1-4H3,(H,23,24)
InChIKeyOAPBPGJISCQEBP-UHFFFAOYSA-N
XLogP7.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.69
LogP ≤ 57.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-methoxyhexadecanoic acid
CID 656825
butyl-dimethyl-tetradecan-2-yloxysilane
CID 554593
2-methoxytetracosanoic acid
CID 10453501
2-bromooxyheptanoic acid
CID 151321599
2-methoxypentacosanoic acid
CID 10476799
2-ethoxyicosanoic acid
CID 86106777
2-acetyloxyhexadecanoic acid
CID 15599534
(2S)-2-acetyloxydodecanoic acid
CID 90302969
2-decoxydecanoic acid
CID 152638766
2-aminooxyheptanoic acid
CID 88524492
2-heptadecanoyloxytetradecanoic acid
CID 133049056
2-tetradecanoyloxytetradecanoic acid
CID 10503916

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(dimethyl)silyl]oxyhexadecanoic acid?
The IUPAC name of 2-[butyl(dimethyl)silyl]oxyhexadecanoic acid (CID 87408863) is 2-[butyl(dimethyl)silyl]oxyhexadecanoic acid.
What is the SMILES notation for 2-[butyl(dimethyl)silyl]oxyhexadecanoic acid?
The canonical SMILES for 2-[butyl(dimethyl)silyl]oxyhexadecanoic acid is CCCCCCCCCCCCCCC(O[Si](C)(C)CCCC)C(=O)O.
What is the InChIKey of 2-[butyl(dimethyl)silyl]oxyhexadecanoic acid?
The InChIKey is OAPBPGJISCQEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O3Si/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-21(22(23)24)25-26(3,4)20-8-6-2/h21H,5-20H2,1-4H3,(H,23,24).
What are the key properties of 2-[butyl(dimethyl)silyl]oxyhexadecanoic acid?
2-[butyl(dimethyl)silyl]oxyhexadecanoic acid has a molecular weight of 386.69 g/mol, XLogP of 7.55, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(dimethyl)silyl]oxyhexadecanoic acid is sourced from PubChem (CID 87408863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).