2-[dibutoxy(methyl)silyl]oxypentanoic acid

C14H30O5Si — CID 140542016

IUPAC2-[dibutoxy(methyl)silyl]oxypentanoic acid
SMILESCCCCO[Si](C)(OCCCC)OC(CCC)C(=O)O
InChIInChI=1S/C14H30O5Si/c1-5-8-11-17-20(4,18-12-9-6-2)19-13(10-7-3)14(15)16/h13H,5-12H2,1-4H3,(H,15,16)
InChIKeyKGWKVRZSBIEZGF-UHFFFAOYSA-N
MW306.47 g/mol
LogP3.46
Rot. Bonds13

About 2-[dibutoxy(methyl)silyl]oxypentanoic acid

2-[dibutoxy(methyl)silyl]oxypentanoic acid (PubChem CID 140542016) has the molecular formula C14H30O5Si and a molecular weight of 306.47 g/mol. Its IUPAC name is 2-[dibutoxy(methyl)silyl]oxypentanoic acid.

Molecular Properties

Compound Name2-[dibutoxy(methyl)silyl]oxypentanoic acid
PubChem CID140542016
Molecular FormulaC14H30O5Si
Molecular Weight306.47 g/mol
Exact Mass306.19
IUPAC Name2-[dibutoxy(methyl)silyl]oxypentanoic acid
SMILESCCCCO[Si](C)(OCCCC)OC(CCC)C(=O)O
InChIInChI=1S/C14H30O5Si/c1-5-8-11-17-20(4,18-12-9-6-2)19-13(10-7-3)14(15)16/h13H,5-12H2,1-4H3,(H,15,16)
InChIKeyKGWKVRZSBIEZGF-UHFFFAOYSA-N
XLogP3.46
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.47
LogP ≤ 53.46
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

2-[butyl(dimethyl)silyl]oxyhexadecanoic acid
CID 87408863
2-(2-hydroxyhexanoyloxy)pentanoic acid
CID 18760379
2-bromooxyheptanoic acid
CID 151321599
(2S)-2-methoxyhexanoic acid
CID 129373931
butoxy-dimethyl-pentan-2-yloxysilane
CID 91726705
2-(2-ethoxyethoxy)pentanoic acid
CID 83037428
butyl 2-trimethylsilyloxypropanoate
CID 88549339
2-decoxydecanoic acid
CID 152638766
triheptoxy(methyl)silane
CID 525768
2-butoxy-5-methoxyhexanoic acid
CID 152560243
2-(oxetan-3-yloxy)hexanoic acid
CID 102605290
4-[butoxy-ethyl-(3-hydroxypropyl)silyl]oxyhept-1-en-3-one
CID 175929744

Frequently Asked Questions

What is the IUPAC name of 2-[dibutoxy(methyl)silyl]oxypentanoic acid?
The IUPAC name of 2-[dibutoxy(methyl)silyl]oxypentanoic acid (CID 140542016) is 2-[dibutoxy(methyl)silyl]oxypentanoic acid.
What is the SMILES notation for 2-[dibutoxy(methyl)silyl]oxypentanoic acid?
The canonical SMILES for 2-[dibutoxy(methyl)silyl]oxypentanoic acid is CCCCO[Si](C)(OCCCC)OC(CCC)C(=O)O.
What is the InChIKey of 2-[dibutoxy(methyl)silyl]oxypentanoic acid?
The InChIKey is KGWKVRZSBIEZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O5Si/c1-5-8-11-17-20(4,18-12-9-6-2)19-13(10-7-3)14(15)16/h13H,5-12H2,1-4H3,(H,15,16).
What are the key properties of 2-[dibutoxy(methyl)silyl]oxypentanoic acid?
2-[dibutoxy(methyl)silyl]oxypentanoic acid has a molecular weight of 306.47 g/mol, XLogP of 3.46, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dibutoxy(methyl)silyl]oxypentanoic acid is sourced from PubChem (CID 140542016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).