5-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid

C11H22O3Si — CID 87676790

IUPAC5-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid
SMILESCC(C)(C)[Si](C)(C)OC=CCCC(=O)O
InChIInChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)14-9-7-6-8-10(12)13/h7,9H,6,8H2,1-5H3,(H,12,13)
InChIKeyRGZBKQMDEVUMMB-UHFFFAOYSA-N
MW230.38 g/mol
LogP3.39
Rot. Bonds5

About 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid

5-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid (PubChem CID 87676790) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid
PubChem CID87676790
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid
SMILESCC(C)(C)[Si](C)(C)OC=CCCC(=O)O
InChIInChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)14-9-7-6-8-10(12)13/h7,9H,6,8H2,1-5H3,(H,12,13)
InChIKeyRGZBKQMDEVUMMB-UHFFFAOYSA-N
XLogP3.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid (CID 87676790) is 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid is CC(C)(C)[Si](C)(C)OC=CCCC(=O)O.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid?
The InChIKey is RGZBKQMDEVUMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-11(2,3)15(4,5)14-9-7-6-8-10(12)13/h7,9H,6,8H2,1-5H3,(H,12,13).
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid?
5-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid has a molecular weight of 230.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid is sourced from PubChem (CID 87676790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).