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

C17H31FO2Si — CID 10805241

IUPAC(2Z)-2-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-fluoroethyl)-2-methylidenecyclohexylidene]ethanol
SMILESC=C1/C(=C\CO)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1CCF
InChIInChI=1S/C17H31FO2Si/c1-13-14(7-9-18)11-16(12-15(13)8-10-19)20-21(5,6)17(2,3)4/h8,14,16,19H,1,7,9-12H2,2-6H3/b15-8-/t14-,16-/m0/s1
InChIKeyNDWGJYLYKWOJJE-IQKKAEGRSA-N
MW314.52 g/mol
LogP4.62
Rot. Bonds5

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

(2Z)-2-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-fluoroethyl)-2-methylidenecyclohexylidene]ethanol (PubChem CID 10805241) has the molecular formula C17H31FO2Si and a molecular weight of 314.52 g/mol. Its IUPAC name is (2Z)-2-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-fluoroethyl)-2-methylidenecyclohexylidene]ethanol.

Molecular Properties

Compound Name(2Z)-2-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-fluoroethyl)-2-methylidenecyclohexylidene]ethanol
PubChem CID10805241
Molecular FormulaC17H31FO2Si
Molecular Weight314.52 g/mol
Exact Mass314.21
IUPAC Name(2Z)-2-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-fluoroethyl)-2-methylidenecyclohexylidene]ethanol
SMILESC=C1/C(=C\CO)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1CCF
InChIInChI=1S/C17H31FO2Si/c1-13-14(7-9-18)11-16(12-15(13)8-10-19)20-21(5,6)17(2,3)4/h8,14,16,19H,1,7,9-12H2,2-6H3/b15-8-/t14-,16-/m0/s1
InChIKeyNDWGJYLYKWOJJE-IQKKAEGRSA-N
XLogP4.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 54.62
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 (2Z)-2-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-fluoroethyl)-2-methylidenecyclohexylidene]ethanol?
The IUPAC name of (2Z)-2-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-fluoroethyl)-2-methylidenecyclohexylidene]ethanol (CID 10805241) is (2Z)-2-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-fluoroethyl)-2-methylidenecyclohexylidene]ethanol.
What is the SMILES notation for (2Z)-2-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-fluoroethyl)-2-methylidenecyclohexylidene]ethanol?
The canonical SMILES for (2Z)-2-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-fluoroethyl)-2-methylidenecyclohexylidene]ethanol is C=C1/C(=C\CO)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1CCF.
What is the InChIKey of (2Z)-2-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-fluoroethyl)-2-methylidenecyclohexylidene]ethanol?
The InChIKey is NDWGJYLYKWOJJE-IQKKAEGRSA-N. The full InChI is InChI=1S/C17H31FO2Si/c1-13-14(7-9-18)11-16(12-15(13)8-10-19)20-21(5,6)17(2,3)4/h8,14,16,19H,1,7,9-12H2,2-6H3/b15-8-/t14-,16-/m0/s1.
What are the key properties of (2Z)-2-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-fluoroethyl)-2-methylidenecyclohexylidene]ethanol?
(2Z)-2-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-fluoroethyl)-2-methylidenecyclohexylidene]ethanol has a molecular weight of 314.52 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-(2-fluoroethyl)-2-methylidenecyclohexylidene]ethanol is sourced from PubChem (CID 10805241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).