2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethanol

C20H42O3Si2 — CID 10221782

IUPAC2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(=CCO)C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C20H42O3Si2/c1-19(2,3)24(7,8)22-17-13-16(11-12-21)14-18(15-17)23-25(9,10)20(4,5)6/h11,17-18,21H,12-15H2,1-10H3/t17-,18-/m1/s1
InChIKeyYDSSQNPZARKZPC-QZTJIDSGSA-N
MW386.73 g/mol
LogP5.87
Rot. Bonds5

About 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethanol

2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethanol (PubChem CID 10221782) has the molecular formula C20H42O3Si2 and a molecular weight of 386.73 g/mol. Its IUPAC name is 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethanol.

Molecular Properties

Compound Name2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethanol
PubChem CID10221782
Molecular FormulaC20H42O3Si2
Molecular Weight386.73 g/mol
Exact Mass386.27
IUPAC Name2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethanol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC(=CCO)C[C@@H](O[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C20H42O3Si2/c1-19(2,3)24(7,8)22-17-13-16(11-12-21)14-18(15-17)23-25(9,10)20(4,5)6/h11,17-18,21H,12-15H2,1-10H3/t17-,18-/m1/s1
InChIKeyYDSSQNPZARKZPC-QZTJIDSGSA-N
XLogP5.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.73
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethanol?
The IUPAC name of 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethanol (CID 10221782) is 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethanol.
What is the SMILES notation for 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethanol?
The canonical SMILES for 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethanol is CC(C)(C)[Si](C)(C)O[C@@H]1CC(=CCO)C[C@@H](O[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethanol?
The InChIKey is YDSSQNPZARKZPC-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H42O3Si2/c1-19(2,3)24(7,8)22-17-13-16(11-12-21)14-18(15-17)23-25(9,10)20(4,5)6/h11,17-18,21H,12-15H2,1-10H3/t17-,18-/m1/s1.
What are the key properties of 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethanol?
2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethanol has a molecular weight of 386.73 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexylidene]ethanol is sourced from PubChem (CID 10221782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).