3-[4-[2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid

C18H36O3Si — CID 21266261

IUPAC3-[4-[2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid
SMILESCC(CC1CCC(CCC(=O)O)CC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-14(21-22(5,6)18(2,3)4)13-16-9-7-15(8-10-16)11-12-17(19)20/h14-16H,7-13H2,1-6H3,(H,19,20)
InChIKeyRCZDMHIFLNRABJ-UHFFFAOYSA-N
MW328.57 g/mol
LogP5.46
Rot. Bonds7

About 3-[4-[2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid

3-[4-[2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid (PubChem CID 21266261) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is 3-[4-[2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid
PubChem CID21266261
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Name3-[4-[2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid
SMILESCC(CC1CCC(CCC(=O)O)CC1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-14(21-22(5,6)18(2,3)4)13-16-9-7-15(8-10-16)11-12-17(19)20/h14-16H,7-13H2,1-6H3,(H,19,20)
InChIKeyRCZDMHIFLNRABJ-UHFFFAOYSA-N
XLogP5.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid?
The IUPAC name of 3-[4-[2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid (CID 21266261) is 3-[4-[2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid.
What is the SMILES notation for 3-[4-[2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid?
The canonical SMILES for 3-[4-[2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid is CC(CC1CCC(CCC(=O)O)CC1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[4-[2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid?
The InChIKey is RCZDMHIFLNRABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-14(21-22(5,6)18(2,3)4)13-16-9-7-15(8-10-16)11-12-17(19)20/h14-16H,7-13H2,1-6H3,(H,19,20).
What are the key properties of 3-[4-[2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid?
3-[4-[2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid has a molecular weight of 328.57 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[tert-butyl(dimethyl)silyl]oxypropyl]cyclohexyl]propanoic acid is sourced from PubChem (CID 21266261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).