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

C28H60O4Si3 — CID 58672951

IUPAC2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexylidene]ethanol
SMILESCC(C)(C)[Si](C)(C)OCCC1[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/C28H60O4Si3/c1-26(2,3)33(10,11)30-19-17-23-24(31-34(12,13)27(4,5)6)20-22(16-18-29)21-25(23)32-35(14,15)28(7,8)9/h16,23-25,29H,17-21H2,1-15H3/b22-16-/t23?,24-,25-/m1/s1
InChIKeyBLFKEUIOGLTAQO-WIGPAWAVSA-N
MW545.04 g/mol
LogP8.51
Rot. Bonds9

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

2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexylidene]ethanol (PubChem CID 58672951) has the molecular formula C28H60O4Si3 and a molecular weight of 545.04 g/mol. Its IUPAC name is 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexylidene]ethanol.

Molecular Properties

Compound Name2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexylidene]ethanol
PubChem CID58672951
Molecular FormulaC28H60O4Si3
Molecular Weight545.04 g/mol
Exact Mass544.38
IUPAC Name2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexylidene]ethanol
SMILESCC(C)(C)[Si](C)(C)OCCC1[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/C28H60O4Si3/c1-26(2,3)33(10,11)30-19-17-23-24(31-34(12,13)27(4,5)6)20-22(16-18-29)21-25(23)32-35(14,15)28(7,8)9/h16,23-25,29H,17-21H2,1-15H3/b22-16-/t23?,24-,25-/m1/s1
InChIKeyBLFKEUIOGLTAQO-WIGPAWAVSA-N
XLogP8.51
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.04
LogP ≤ 58.51
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-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexylidene]ethanol?
The IUPAC name of 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexylidene]ethanol (CID 58672951) is 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexylidene]ethanol.
What is the SMILES notation for 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexylidene]ethanol?
The canonical SMILES for 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexylidene]ethanol is CC(C)(C)[Si](C)(C)OCCC1[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-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexylidene]ethanol?
The InChIKey is BLFKEUIOGLTAQO-WIGPAWAVSA-N. The full InChI is InChI=1S/C28H60O4Si3/c1-26(2,3)33(10,11)30-19-17-23-24(31-34(12,13)27(4,5)6)20-22(16-18-29)21-25(23)32-35(14,15)28(7,8)9/h16,23-25,29H,17-21H2,1-15H3/b22-16-/t23?,24-,25-/m1/s1.
What are the key properties of 2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexylidene]ethanol?
2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexylidene]ethanol has a molecular weight of 545.04 g/mol, XLogP of 8.51, 9 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-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexylidene]ethanol is sourced from PubChem (CID 58672951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).