2-[(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol

C15H27FO2Si — CID 91084795

IUPAC2-[(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol
SMILESC=C1C(=CCO)CC(O[Si](C)(C)C(C)(C)C)C[C@@H]1F
InChIInChI=1S/C15H27FO2Si/c1-11-12(7-8-17)9-13(10-14(11)16)18-19(5,6)15(2,3)4/h7,13-14,17H,1,8-10H2,2-6H3/t13?,14-/m0/s1
InChIKeyUNZOGRGDTQTDIX-KZUDCZAMSA-N
MW286.46 g/mol
LogP3.98
Rot. Bonds3

About 2-[(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol

2-[(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol (PubChem CID 91084795) has the molecular formula C15H27FO2Si and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-[(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol.

Molecular Properties

Compound Name2-[(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol
PubChem CID91084795
Molecular FormulaC15H27FO2Si
Molecular Weight286.46 g/mol
Exact Mass286.18
IUPAC Name2-[(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol
SMILESC=C1C(=CCO)CC(O[Si](C)(C)C(C)(C)C)C[C@@H]1F
InChIInChI=1S/C15H27FO2Si/c1-11-12(7-8-17)9-13(10-14(11)16)18-19(5,6)15(2,3)4/h7,13-14,17H,1,8-10H2,2-6H3/t13?,14-/m0/s1
InChIKeyUNZOGRGDTQTDIX-KZUDCZAMSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.98
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 2-[(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol?
The IUPAC name of 2-[(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol (CID 91084795) is 2-[(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol.
What is the SMILES notation for 2-[(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol?
The canonical SMILES for 2-[(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol is C=C1C(=CCO)CC(O[Si](C)(C)C(C)(C)C)C[C@@H]1F.
What is the InChIKey of 2-[(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol?
The InChIKey is UNZOGRGDTQTDIX-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H27FO2Si/c1-11-12(7-8-17)9-13(10-14(11)16)18-19(5,6)15(2,3)4/h7,13-14,17H,1,8-10H2,2-6H3/t13?,14-/m0/s1.
What are the key properties of 2-[(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol?
2-[(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol has a molecular weight of 286.46 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol is sourced from PubChem (CID 91084795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).