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

C11H22O3Si — CID 44614149

IUPAC3-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid
SMILESC=CC(CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O3Si/c1-7-9(8-10(12)13)14-15(5,6)11(2,3)4/h7,9H,1,8H2,2-6H3,(H,12,13)
InChIKeyKWPDEVJZJHRUAE-UHFFFAOYSA-N
MW230.38 g/mol
LogP3.04
Rot. Bonds5

About 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid

3-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid (PubChem CID 44614149) has the molecular formula C11H22O3Si and a molecular weight of 230.38 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid
PubChem CID44614149
Molecular FormulaC11H22O3Si
Molecular Weight230.38 g/mol
Exact Mass230.13
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid
SMILESC=CC(CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H22O3Si/c1-7-9(8-10(12)13)14-15(5,6)11(2,3)4/h7,9H,1,8H2,2-6H3,(H,12,13)
InChIKeyKWPDEVJZJHRUAE-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid (CID 44614149) is 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid is C=CC(CC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid?
The InChIKey is KWPDEVJZJHRUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3Si/c1-7-9(8-10(12)13)14-15(5,6)11(2,3)4/h7,9H,1,8H2,2-6H3,(H,12,13).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid?
3-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid has a molecular weight of 230.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxypent-4-enoic acid is sourced from PubChem (CID 44614149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).