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

C15H27FO2Si — CID 11044370

IUPAC(2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol
SMILESC=C1/C(=C/CO)C[C@@H](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/b12-7+/t13-,14+/m1/s1
InChIKeyUNZOGRGDTQTDIX-NMEJBFKPSA-N
MW286.46 g/mol
LogP3.98
Rot. Bonds3

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

(2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol (PubChem CID 11044370) has the molecular formula C15H27FO2Si and a molecular weight of 286.46 g/mol. Its IUPAC name is (2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol.

Molecular Properties

Compound Name(2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol
PubChem CID11044370
Molecular FormulaC15H27FO2Si
Molecular Weight286.46 g/mol
Exact Mass286.18
IUPAC Name(2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol
SMILESC=C1/C(=C/CO)C[C@@H](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/b12-7+/t13-,14+/m1/s1
InChIKeyUNZOGRGDTQTDIX-NMEJBFKPSA-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 (2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol?
The IUPAC name of (2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol (CID 11044370) is (2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol.
What is the SMILES notation for (2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol?
The canonical SMILES for (2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol is C=C1/C(=C/CO)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1F.
What is the InChIKey of (2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol?
The InChIKey is UNZOGRGDTQTDIX-NMEJBFKPSA-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/b12-7+/t13-,14+/m1/s1.
What are the key properties of (2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol?
(2E)-2-[(3S,5R)-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 (2E)-2-[(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-2-methylidenecyclohexylidene]ethanol is sourced from PubChem (CID 11044370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).