(Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-fluorohex-4-en-3-ol

C12H25FO2Si — CID 141121837

IUPAC(Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-fluorohex-4-en-3-ol
SMILESCCC(O)/C(F)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25FO2Si/c1-7-11(14)10(13)8-9-15-16(5,6)12(2,3)4/h8,11,14H,7,9H2,1-6H3/b10-8-
InChIKeyDFIHSRJFUICTEF-NTMALXAHSA-N
MW248.41 g/mol
LogP3.63
Rot. Bonds5

About (Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-fluorohex-4-en-3-ol

(Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-fluorohex-4-en-3-ol (PubChem CID 141121837) has the molecular formula C12H25FO2Si and a molecular weight of 248.41 g/mol. Its IUPAC name is (Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-fluorohex-4-en-3-ol.

Molecular Properties

Compound Name(Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-fluorohex-4-en-3-ol
PubChem CID141121837
Molecular FormulaC12H25FO2Si
Molecular Weight248.41 g/mol
Exact Mass248.16
IUPAC Name(Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-fluorohex-4-en-3-ol
SMILESCCC(O)/C(F)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25FO2Si/c1-7-11(14)10(13)8-9-15-16(5,6)12(2,3)4/h8,11,14H,7,9H2,1-6H3/b10-8-
InChIKeyDFIHSRJFUICTEF-NTMALXAHSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-fluorohex-4-en-3-ol?
The IUPAC name of (Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-fluorohex-4-en-3-ol (CID 141121837) is (Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-fluorohex-4-en-3-ol.
What is the SMILES notation for (Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-fluorohex-4-en-3-ol?
The canonical SMILES for (Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-fluorohex-4-en-3-ol is CCC(O)/C(F)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-fluorohex-4-en-3-ol?
The InChIKey is DFIHSRJFUICTEF-NTMALXAHSA-N. The full InChI is InChI=1S/C12H25FO2Si/c1-7-11(14)10(13)8-9-15-16(5,6)12(2,3)4/h8,11,14H,7,9H2,1-6H3/b10-8-.
What are the key properties of (Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-fluorohex-4-en-3-ol?
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-fluorohex-4-en-3-ol has a molecular weight of 248.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-[tert-butyl(dimethyl)silyl]oxy-4-fluorohex-4-en-3-ol is sourced from PubChem (CID 141121837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).