3,4-bis(trimethylsilyloxy)pentanoic acid

C11H26O4Si2 — CID 87303554

IUPAC3,4-bis(trimethylsilyloxy)pentanoic acid
SMILESCC(O[Si](C)(C)C)C(CC(=O)O)O[Si](C)(C)C
InChIInChI=1S/C11H26O4Si2/c1-9(14-16(2,3)4)10(8-11(12)13)15-17(5,6)7/h9-10H,8H2,1-7H3,(H,12,13)
InChIKeyXBOZQFCXGQLHHD-UHFFFAOYSA-N
MW278.50 g/mol
LogP2.92
Rot. Bonds7

About 3,4-bis(trimethylsilyloxy)pentanoic acid

3,4-bis(trimethylsilyloxy)pentanoic acid (PubChem CID 87303554) has the molecular formula C11H26O4Si2 and a molecular weight of 278.50 g/mol. Its IUPAC name is 3,4-bis(trimethylsilyloxy)pentanoic acid.

Molecular Properties

Compound Name3,4-bis(trimethylsilyloxy)pentanoic acid
PubChem CID87303554
Molecular FormulaC11H26O4Si2
Molecular Weight278.50 g/mol
Exact Mass278.14
IUPAC Name3,4-bis(trimethylsilyloxy)pentanoic acid
SMILESCC(O[Si](C)(C)C)C(CC(=O)O)O[Si](C)(C)C
InChIInChI=1S/C11H26O4Si2/c1-9(14-16(2,3)4)10(8-11(12)13)15-17(5,6)7/h9-10H,8H2,1-7H3,(H,12,13)
InChIKeyXBOZQFCXGQLHHD-UHFFFAOYSA-N
XLogP2.92
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.50
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-trimethylsilyloxybutanoic acid
CID 11008465
3-[tert-butyl(dimethyl)silyl]pentanedioic acid
CID 174743819
(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-4-methylhex-5-enoic acid
CID 11188272
(3R,4S)-3-methoxy-5-methyl-4-(methylamino)hexanoic acid
CID 141472866
3-methylbutanoic acid
CID 20849036
(Z,3S,6R,7S,8S,15S,16R)-3,16-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-4,4,6,8-tetramethyl-5-oxo-15-trimethylsilyloxyheptadec-12-enoic acid
CID 11377513
3-[tert-butyl(dimethyl)silyl]-4-methylpentanoic acid
CID 141142277
3-[(2-carboxyacetyl)oxy-trimethylsilyloxymethoxy]-3-oxopropanoic acid
CID 88601705
CID 87948469
CID 87948469
argon;3-methylbutanoic acid
CID 158006921
2-trimethylsilyloxybutanoic acid
CID 88616813
(3S)-3-methoxybutanoic acid
CID 51374275

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(trimethylsilyloxy)pentanoic acid?
The IUPAC name of 3,4-bis(trimethylsilyloxy)pentanoic acid (CID 87303554) is 3,4-bis(trimethylsilyloxy)pentanoic acid.
What is the SMILES notation for 3,4-bis(trimethylsilyloxy)pentanoic acid?
The canonical SMILES for 3,4-bis(trimethylsilyloxy)pentanoic acid is CC(O[Si](C)(C)C)C(CC(=O)O)O[Si](C)(C)C.
What is the InChIKey of 3,4-bis(trimethylsilyloxy)pentanoic acid?
The InChIKey is XBOZQFCXGQLHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26O4Si2/c1-9(14-16(2,3)4)10(8-11(12)13)15-17(5,6)7/h9-10H,8H2,1-7H3,(H,12,13).
What are the key properties of 3,4-bis(trimethylsilyloxy)pentanoic acid?
3,4-bis(trimethylsilyloxy)pentanoic acid has a molecular weight of 278.50 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(trimethylsilyloxy)pentanoic acid is sourced from PubChem (CID 87303554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).