3,4,4,5,5,6,6,6-octafluoro-2-methyl-1-(oxasilinan-2-yl)hexan-3-ol

C11H16F8O2Si — CID 173333370

IUPAC3,4,4,5,5,6,6,6-octafluoro-2-methyl-1-(oxasilinan-2-yl)hexan-3-ol
SMILESCC(C[SiH]1CCCCO1)C(O)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H16F8O2Si/c1-7(6-22-5-3-2-4-21-22)8(12,20)9(13,14)10(15,16)11(17,18)19/h7,20,22H,2-6H2,1H3
InChIKeyLBBYHNZGJNYAFL-UHFFFAOYSA-N
MW360.32 g/mol
LogP3.65
Rot. Bonds5

About 3,4,4,5,5,6,6,6-octafluoro-2-methyl-1-(oxasilinan-2-yl)hexan-3-ol

3,4,4,5,5,6,6,6-octafluoro-2-methyl-1-(oxasilinan-2-yl)hexan-3-ol (PubChem CID 173333370) has the molecular formula C11H16F8O2Si and a molecular weight of 360.32 g/mol. Its IUPAC name is 3,4,4,5,5,6,6,6-octafluoro-2-methyl-1-(oxasilinan-2-yl)hexan-3-ol.

Molecular Properties

Compound Name3,4,4,5,5,6,6,6-octafluoro-2-methyl-1-(oxasilinan-2-yl)hexan-3-ol
PubChem CID173333370
Molecular FormulaC11H16F8O2Si
Molecular Weight360.32 g/mol
Exact Mass360.08
IUPAC Name3,4,4,5,5,6,6,6-octafluoro-2-methyl-1-(oxasilinan-2-yl)hexan-3-ol
SMILESCC(C[SiH]1CCCCO1)C(O)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H16F8O2Si/c1-7(6-22-5-3-2-4-21-22)8(12,20)9(13,14)10(15,16)11(17,18)19/h7,20,22H,2-6H2,1H3
InChIKeyLBBYHNZGJNYAFL-UHFFFAOYSA-N
XLogP3.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4,4,5,5,6,6,6-octafluoro-3-methylhexan-2-yl)oxasilinane
CID 173308842
2-hydroxyoxasilinane;1,1,2-trifluoropropane
CID 175004232
N-methylmethanamine;propan-1-amine;2-propyloxasilinane
CID 173299792
azane;2-prop-2-enyloxasilinane
CID 173003655
1-(oxasilinan-2-yl)propan-1-one
CID 173082161
2-(3-methylbutan-2-yl)oxasilinane
CID 173453680
1,2,2,6,6-pentamethylpiperidine;2-propyloxasilinane
CID 174686072
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
1-(oxasilinan-2-yl)butan-1-one
CID 173082138
2-(1,1,2-trifluoropentan-3-yl)oxasilinane
CID 175589456
1-(oxasilinan-2-yl)propan-1-amine
CID 173013581
2-(2-chlorobutan-2-yl)oxasilinane
CID 173289645

Frequently Asked Questions

What is the IUPAC name of 3,4,4,5,5,6,6,6-octafluoro-2-methyl-1-(oxasilinan-2-yl)hexan-3-ol?
The IUPAC name of 3,4,4,5,5,6,6,6-octafluoro-2-methyl-1-(oxasilinan-2-yl)hexan-3-ol (CID 173333370) is 3,4,4,5,5,6,6,6-octafluoro-2-methyl-1-(oxasilinan-2-yl)hexan-3-ol.
What is the SMILES notation for 3,4,4,5,5,6,6,6-octafluoro-2-methyl-1-(oxasilinan-2-yl)hexan-3-ol?
The canonical SMILES for 3,4,4,5,5,6,6,6-octafluoro-2-methyl-1-(oxasilinan-2-yl)hexan-3-ol is CC(C[SiH]1CCCCO1)C(O)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,4,4,5,5,6,6,6-octafluoro-2-methyl-1-(oxasilinan-2-yl)hexan-3-ol?
The InChIKey is LBBYHNZGJNYAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F8O2Si/c1-7(6-22-5-3-2-4-21-22)8(12,20)9(13,14)10(15,16)11(17,18)19/h7,20,22H,2-6H2,1H3.
What are the key properties of 3,4,4,5,5,6,6,6-octafluoro-2-methyl-1-(oxasilinan-2-yl)hexan-3-ol?
3,4,4,5,5,6,6,6-octafluoro-2-methyl-1-(oxasilinan-2-yl)hexan-3-ol has a molecular weight of 360.32 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,5,5,6,6,6-octafluoro-2-methyl-1-(oxasilinan-2-yl)hexan-3-ol is sourced from PubChem (CID 173333370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).