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

C24H46O4Si — CID 173336517

IUPAC2-[3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)-1-hydroxycyclohexyl]acetic acid
SMILESC[SiH](C)OCCCCCCCC(C=CC1CCCC(O)(CC(=O)O)C1)C(C)(C)C
InChIInChI=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)
InChIKeyUSCBFOSHRHRRRJ-UHFFFAOYSA-N
MW426.71 g/mol
LogP5.94
Rot. Bonds13

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 Name2-[3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)-1-hydroxycyclohexyl]acetic acid
PubChem CID173336517
Molecular FormulaC24H46O4Si
Molecular Weight426.71 g/mol
Exact Mass426.32
IUPAC Name2-[3-(3-tert-butyl-10-dimethylsilyloxydec-1-enyl)-1-hydroxycyclohexyl]acetic acid
SMILESC[SiH](C)OCCCCCCCC(C=CC1CCCC(O)(CC(=O)O)C1)C(C)(C)C
InChIInChI=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)
InChIKeyUSCBFOSHRHRRRJ-UHFFFAOYSA-N
XLogP5.94
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.71
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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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).