2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexylidene]ethanol

C24H52O4Si3 — CID 58672956

IUPAC2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexylidene]ethanol
SMILESCC1(O[Si](C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)CC(=CCO)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H52O4Si3/c1-22(2,3)30(11,12)26-20-17-19(15-16-25)18-21(24(20,7)28-29(8,9)10)27-31(13,14)23(4,5)6/h15,20-21,25H,16-18H2,1-14H3/b19-15-/t20-,21-,24?/m1/s1
InChIKeyXRDPZDJEVAJNBC-UJPZHLMMSA-N
MW488.93 g/mol
LogP7.09
Rot. Bonds7

About 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexylidene]ethanol

2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexylidene]ethanol (PubChem CID 58672956) has the molecular formula C24H52O4Si3 and a molecular weight of 488.93 g/mol. Its IUPAC name is 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexylidene]ethanol.

Molecular Properties

Compound Name2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexylidene]ethanol
PubChem CID58672956
Molecular FormulaC24H52O4Si3
Molecular Weight488.93 g/mol
Exact Mass488.32
IUPAC Name2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexylidene]ethanol
SMILESCC1(O[Si](C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)CC(=CCO)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H52O4Si3/c1-22(2,3)30(11,12)26-20-17-19(15-16-25)18-21(24(20,7)28-29(8,9)10)27-31(13,14)23(4,5)6/h15,20-21,25H,16-18H2,1-14H3/b19-15-/t20-,21-,24?/m1/s1
InChIKeyXRDPZDJEVAJNBC-UJPZHLMMSA-N
XLogP7.09
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.93
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]-4-methyl-4-trimethylsilyloxycyclohexylidene]ethanol?
The IUPAC name of 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexylidene]ethanol (CID 58672956) is 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexylidene]ethanol.
What is the SMILES notation for 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexylidene]ethanol?
The canonical SMILES for 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexylidene]ethanol is CC1(O[Si](C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)CC(=CCO)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexylidene]ethanol?
The InChIKey is XRDPZDJEVAJNBC-UJPZHLMMSA-N. The full InChI is InChI=1S/C24H52O4Si3/c1-22(2,3)30(11,12)26-20-17-19(15-16-25)18-21(24(20,7)28-29(8,9)10)27-31(13,14)23(4,5)6/h15,20-21,25H,16-18H2,1-14H3/b19-15-/t20-,21-,24?/m1/s1.
What are the key properties of 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexylidene]ethanol?
2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexylidene]ethanol has a molecular weight of 488.93 g/mol, XLogP of 7.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methyl-4-trimethylsilyloxycyclohexylidene]ethanol is sourced from PubChem (CID 58672956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).