3-[ditert-butyl(fluoro)silyl]oxy-5-methoxypentan-1-ol

C14H31FO3Si — CID 10913419

IUPAC3-[ditert-butyl(fluoro)silyl]oxy-5-methoxypentan-1-ol
SMILESCOCCC(CCO)O[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H31FO3Si/c1-13(2,3)19(15,14(4,5)6)18-12(8-10-16)9-11-17-7/h12,16H,8-11H2,1-7H3
InChIKeyJINCFDUWPZSGBP-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.80
Rot. Bonds7

About 3-[ditert-butyl(fluoro)silyl]oxy-5-methoxypentan-1-ol

3-[ditert-butyl(fluoro)silyl]oxy-5-methoxypentan-1-ol (PubChem CID 10913419) has the molecular formula C14H31FO3Si and a molecular weight of 294.48 g/mol. Its IUPAC name is 3-[ditert-butyl(fluoro)silyl]oxy-5-methoxypentan-1-ol.

Molecular Properties

Compound Name3-[ditert-butyl(fluoro)silyl]oxy-5-methoxypentan-1-ol
PubChem CID10913419
Molecular FormulaC14H31FO3Si
Molecular Weight294.48 g/mol
Exact Mass294.20
IUPAC Name3-[ditert-butyl(fluoro)silyl]oxy-5-methoxypentan-1-ol
SMILESCOCCC(CCO)O[Si](F)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H31FO3Si/c1-13(2,3)19(15,14(4,5)6)18-12(8-10-16)9-11-17-7/h12,16H,8-11H2,1-7H3
InChIKeyJINCFDUWPZSGBP-UHFFFAOYSA-N
XLogP3.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[ditert-butyl(fluoro)silyl]oxy-5-methoxypentan-1-ol?
The IUPAC name of 3-[ditert-butyl(fluoro)silyl]oxy-5-methoxypentan-1-ol (CID 10913419) is 3-[ditert-butyl(fluoro)silyl]oxy-5-methoxypentan-1-ol.
What is the SMILES notation for 3-[ditert-butyl(fluoro)silyl]oxy-5-methoxypentan-1-ol?
The canonical SMILES for 3-[ditert-butyl(fluoro)silyl]oxy-5-methoxypentan-1-ol is COCCC(CCO)O[Si](F)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-[ditert-butyl(fluoro)silyl]oxy-5-methoxypentan-1-ol?
The InChIKey is JINCFDUWPZSGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31FO3Si/c1-13(2,3)19(15,14(4,5)6)18-12(8-10-16)9-11-17-7/h12,16H,8-11H2,1-7H3.
What are the key properties of 3-[ditert-butyl(fluoro)silyl]oxy-5-methoxypentan-1-ol?
3-[ditert-butyl(fluoro)silyl]oxy-5-methoxypentan-1-ol has a molecular weight of 294.48 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ditert-butyl(fluoro)silyl]oxy-5-methoxypentan-1-ol is sourced from PubChem (CID 10913419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).