1-[tert-butyl(dimethyl)silyl]oxy-13-(oxan-2-yloxy)tridecan-3-ol

C24H50O4Si — CID 140750199

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-13-(oxan-2-yloxy)tridecan-3-ol
SMILESCC(C)(C)[Si](C)(C)OCCC(O)CCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C24H50O4Si/c1-24(2,3)29(4,5)28-21-18-22(25)16-12-10-8-6-7-9-11-14-19-26-23-17-13-15-20-27-23/h22-23,25H,6-21H2,1-5H3
InChIKeyZTHDIIGQBNCIKE-UHFFFAOYSA-N
MW430.75 g/mol
LogP6.81
Rot. Bonds16

About 1-[tert-butyl(dimethyl)silyl]oxy-13-(oxan-2-yloxy)tridecan-3-ol

1-[tert-butyl(dimethyl)silyl]oxy-13-(oxan-2-yloxy)tridecan-3-ol (PubChem CID 140750199) has the molecular formula C24H50O4Si and a molecular weight of 430.75 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-13-(oxan-2-yloxy)tridecan-3-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-13-(oxan-2-yloxy)tridecan-3-ol
PubChem CID140750199
Molecular FormulaC24H50O4Si
Molecular Weight430.75 g/mol
Exact Mass430.35
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-13-(oxan-2-yloxy)tridecan-3-ol
SMILESCC(C)(C)[Si](C)(C)OCCC(O)CCCCCCCCCCOC1CCCCO1
InChIInChI=1S/C24H50O4Si/c1-24(2,3)29(4,5)28-21-18-22(25)16-12-10-8-6-7-9-11-14-19-26-23-17-13-15-20-27-23/h22-23,25H,6-21H2,1-5H3
InChIKeyZTHDIIGQBNCIKE-UHFFFAOYSA-N
XLogP6.81
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.75
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-13-(oxan-2-yloxy)tridecan-3-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-13-(oxan-2-yloxy)tridecan-3-ol (CID 140750199) is 1-[tert-butyl(dimethyl)silyl]oxy-13-(oxan-2-yloxy)tridecan-3-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-13-(oxan-2-yloxy)tridecan-3-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-13-(oxan-2-yloxy)tridecan-3-ol is CC(C)(C)[Si](C)(C)OCCC(O)CCCCCCCCCCOC1CCCCO1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-13-(oxan-2-yloxy)tridecan-3-ol?
The InChIKey is ZTHDIIGQBNCIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O4Si/c1-24(2,3)29(4,5)28-21-18-22(25)16-12-10-8-6-7-9-11-14-19-26-23-17-13-15-20-27-23/h22-23,25H,6-21H2,1-5H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-13-(oxan-2-yloxy)tridecan-3-ol?
1-[tert-butyl(dimethyl)silyl]oxy-13-(oxan-2-yloxy)tridecan-3-ol has a molecular weight of 430.75 g/mol, XLogP of 6.81, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-13-(oxan-2-yloxy)tridecan-3-ol is sourced from PubChem (CID 140750199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).