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

C23H50O4Si3 — CID 20614539

IUPAC2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]ethanol
SMILESCC(C)(C)[Si](C)(C)OC1CC(=CCO)CC(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C23H50O4Si3/c1-22(2,3)29(10,11)25-19-16-18(14-15-24)17-20(21(19)27-28(7,8)9)26-30(12,13)23(4,5)6/h14,19-21,24H,15-17H2,1-13H3/b18-14-
InChIKeyUUUHWUCWOKUGIZ-JXAWBTAJSA-N
MW474.91 g/mol
LogP6.70
Rot. Bonds7

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

2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]ethanol (PubChem CID 20614539) has the molecular formula C23H50O4Si3 and a molecular weight of 474.91 g/mol. Its IUPAC name is 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]ethanol.

Molecular Properties

Compound Name2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]ethanol
PubChem CID20614539
Molecular FormulaC23H50O4Si3
Molecular Weight474.91 g/mol
Exact Mass474.30
IUPAC Name2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]ethanol
SMILESCC(C)(C)[Si](C)(C)OC1CC(=CCO)CC(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C
InChIInChI=1S/C23H50O4Si3/c1-22(2,3)29(10,11)25-19-16-18(14-15-24)17-20(21(19)27-28(7,8)9)26-30(12,13)23(4,5)6/h14,19-21,24H,15-17H2,1-13H3/b18-14-
InChIKeyUUUHWUCWOKUGIZ-JXAWBTAJSA-N
XLogP6.70
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.91
LogP ≤ 56.70
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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Related Compounds

(Z)-2-((3S,5R)-3,5-bis((tert-butyldiMethylsilyl)oxy)-2-Methylenecyclohexylidene)ethanol
CID 10179011
2-[(3R,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexylidene]ethanol
CID 10221782
2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethanol
CID 11795195
2-[(3S,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethanol
CID 134880747
2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]ethanol
CID 10073621
(E)-2-((3S,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethan-1-ol
CID 10862239
(Z)-2-((3R,5R)-3,5-Bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethan-1-ol
CID 11112122
(Z)-2-((3S,5S)-3,5-Bis((tert-butyldimethylsilyl)oxy)-2-methylenecyclohexylidene)ethan-1-ol
CID 14180437
[(4R,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexen-1-yl]methanol
CID 14728050
(2Z)-2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethanol
CID 18654178
2-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]acetic acid
CID 18667135
2-[3,5-Bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylidenecyclohexylidene]ethanol
CID 21941325

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]ethanol?
The IUPAC name of 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]ethanol (CID 20614539) is 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]ethanol.
What is the SMILES notation for 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]ethanol?
The canonical SMILES for 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]ethanol is CC(C)(C)[Si](C)(C)OC1CC(=CCO)CC(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C.
What is the InChIKey of 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]ethanol?
The InChIKey is UUUHWUCWOKUGIZ-JXAWBTAJSA-N. The full InChI is InChI=1S/C23H50O4Si3/c1-22(2,3)29(10,11)25-19-16-18(14-15-24)17-20(21(19)27-28(7,8)9)26-30(12,13)23(4,5)6/h14,19-21,24H,15-17H2,1-13H3/b18-14-.
What are the key properties of 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]ethanol?
2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]ethanol has a molecular weight of 474.91 g/mol, XLogP of 6.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexylidene]ethanol is sourced from PubChem (CID 20614539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).