3-[ditert-butyl(fluoro)silyl]oxy-5-tri(propan-2-yl)silyloxypentan-1-ol

C22H49FO3Si2 — CID 10884632

IUPAC3-[ditert-butyl(fluoro)silyl]oxy-5-tri(propan-2-yl)silyloxypentan-1-ol
SMILESCC(C)[Si](OCCC(CCO)O[Si](F)(C(C)(C)C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H49FO3Si2/c1-17(2)27(18(3)4,19(5)6)25-16-14-20(13-15-24)26-28(23,21(7,8)9)22(10,11)12/h17-20,24H,13-16H2,1-12H3
InChIKeyNEOYIIRAMQSWFD-UHFFFAOYSA-N
MW436.80 g/mol
LogP7.35
Rot. Bonds11

About 3-[ditert-butyl(fluoro)silyl]oxy-5-tri(propan-2-yl)silyloxypentan-1-ol

3-[ditert-butyl(fluoro)silyl]oxy-5-tri(propan-2-yl)silyloxypentan-1-ol (PubChem CID 10884632) has the molecular formula C22H49FO3Si2 and a molecular weight of 436.80 g/mol. Its IUPAC name is 3-[ditert-butyl(fluoro)silyl]oxy-5-tri(propan-2-yl)silyloxypentan-1-ol.

Molecular Properties

Compound Name3-[ditert-butyl(fluoro)silyl]oxy-5-tri(propan-2-yl)silyloxypentan-1-ol
PubChem CID10884632
Molecular FormulaC22H49FO3Si2
Molecular Weight436.80 g/mol
Exact Mass436.32
IUPAC Name3-[ditert-butyl(fluoro)silyl]oxy-5-tri(propan-2-yl)silyloxypentan-1-ol
SMILESCC(C)[Si](OCCC(CCO)O[Si](F)(C(C)(C)C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H49FO3Si2/c1-17(2)27(18(3)4,19(5)6)25-16-14-20(13-15-24)26-28(23,21(7,8)9)22(10,11)12/h17-20,24H,13-16H2,1-12H3
InChIKeyNEOYIIRAMQSWFD-UHFFFAOYSA-N
XLogP7.35
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.80
LogP ≤ 57.35
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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Related Compounds

3-(tert-Butyldimethylsilanyloxy)pentane-1,5-diol
CID 10868252
(2S,3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-(trifluoromethyl)pentan-1-ol
CID 134943548
(2S,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentan-1-ol
CID 11035844
(2S,3S,4S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4-dimethylpentan-1-ol
CID 91394804
(3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-1-ol
CID 135034831
3-[Ditert-butyl(fluoro)silyl]oxy-5-methoxypentan-1-ol
CID 10913419
(3S,4R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylpentan-1-ol
CID 11111243
(2R,3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylpentan-1-ol
CID 11302959
4,6-Bis[[tert-butyl(dimethyl)silyl]oxy]hexan-1-ol
CID 86163752
(2S,4S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentane-2,4-diol
CID 135016182
(3R)-3-[tert-butyl(dimethyl)silyl]oxypentan-1-ol
CID 10900101
(3S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 11759848

Frequently Asked Questions

What is the IUPAC name of 3-[ditert-butyl(fluoro)silyl]oxy-5-tri(propan-2-yl)silyloxypentan-1-ol?
The IUPAC name of 3-[ditert-butyl(fluoro)silyl]oxy-5-tri(propan-2-yl)silyloxypentan-1-ol (CID 10884632) is 3-[ditert-butyl(fluoro)silyl]oxy-5-tri(propan-2-yl)silyloxypentan-1-ol.
What is the SMILES notation for 3-[ditert-butyl(fluoro)silyl]oxy-5-tri(propan-2-yl)silyloxypentan-1-ol?
The canonical SMILES for 3-[ditert-butyl(fluoro)silyl]oxy-5-tri(propan-2-yl)silyloxypentan-1-ol is CC(C)[Si](OCCC(CCO)O[Si](F)(C(C)(C)C)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3-[ditert-butyl(fluoro)silyl]oxy-5-tri(propan-2-yl)silyloxypentan-1-ol?
The InChIKey is NEOYIIRAMQSWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H49FO3Si2/c1-17(2)27(18(3)4,19(5)6)25-16-14-20(13-15-24)26-28(23,21(7,8)9)22(10,11)12/h17-20,24H,13-16H2,1-12H3.
What are the key properties of 3-[ditert-butyl(fluoro)silyl]oxy-5-tri(propan-2-yl)silyloxypentan-1-ol?
3-[ditert-butyl(fluoro)silyl]oxy-5-tri(propan-2-yl)silyloxypentan-1-ol has a molecular weight of 436.80 g/mol, XLogP of 7.35, 11 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-tri(propan-2-yl)silyloxypentan-1-ol is sourced from PubChem (CID 10884632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).