2-[3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)-1-hydroxycyclohexyl]acetic acid

C24H46O4Si — CID 173336517

About 2-[3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)-1-hydroxycyclohexyl]acetic acid

2-[3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)-1-hydroxycyclohexyl]acetic acid (PubChem CID 173336517) has the molecular formula C24H46O4Si and a molecular weight of 426.71 g/mol. Its IUPAC name is 2-[3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)-1-hydroxycyclohexyl]acetic acid.

Molecular Properties

• Compound Name: 2-[3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)-1-hydroxycyclohexyl]acetic acid
• PubChem CID: 173336517
• Molecular Formula: C24H46O4Si
• Molecular Weight: 426.71 g/mol
• Exact Mass: 426.32
• IUPAC Name: 2-[3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)-1-hydroxycyclohexyl]acetic acid
• SMILES: C[SiH](C)OCCCCCCCC(C=CC1CCCC(O)(CC(=O)O)C1)C(C)(C)C
• InChI: InChI=1S/C24H46O4Si/c1-23(2,3)21(13-9-7-6-8-10-17-28-29(4)5)15-14-20-12-11-16-24(27,18-20)19-22(25)26/h14-15,20-21,27,29H,6-13,16-19H2,1-5H3,(H,25,26)
• InChIKey: USCBFOSHRHRRRJ-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 66.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.71
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)-1-hydroxycyclohexyl]acetic acid?

The IUPAC name of 2-[3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)-1-hydroxycyclohexyl]acetic acid (CID 173336517) is 2-[3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)-1-hydroxycyclohexyl]acetic acid.

What is the SMILES notation for 2-[3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)-1-hydroxycyclohexyl]acetic acid?

The canonical SMILES for 2-[3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)-1-hydroxycyclohexyl]acetic acid is C[SiH](C)OCCCCCCCC(C=CC1CCCC(O)(CC(=O)O)C1)C(C)(C)C.

What is the InChIKey of 2-[3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)-1-hydroxycyclohexyl]acetic acid?

The InChIKey is USCBFOSHRHRRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O4Si/c1-23(2,3)21(13-9-7-6-8-10-17-28-29(4)5)15-14-20-12-11-16-24(27,18-20)19-22(25)26/h14-15,20-21,27,29H,6-13,16-19H2,1-5H3,(H,25,26).

What are the key properties of 2-[3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)-1-hydroxycyclohexyl]acetic acid?

2-[3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)-1-hydroxycyclohexyl]acetic acid has a molecular weight of 426.71 g/mol, XLogP of 5.94, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)-1-hydroxycyclohexyl]acetic acid is sourced from PubChem (CID 173336517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).