[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methyl-4-phenylmethoxycyclohexyl]oxy-trimethylsilane

C29H56O4Si3 — CID 69221975

IUPAC[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methyl-4-phenylmethoxycyclohexyl]oxy-trimethylsilane
SMILESCC1(O[Si](C)(C)C)C(O[Si](C)(C)C(C)(C)C)CC(OCc2ccccc2)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H56O4Si3/c1-27(2,3)35(11,12)31-25-20-24(30-22-23-18-16-15-17-19-23)21-26(29(25,7)33-34(8,9)10)32-36(13,14)28(4,5)6/h15-19,24-26H,20-22H2,1-14H3
InChIKeyOEYQOPXLHKJPDZ-UHFFFAOYSA-N
MW553.02 g/mol
LogP8.76
Rot. Bonds9

About [2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methyl-4-phenylmethoxycyclohexyl]oxy-trimethylsilane

[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methyl-4-phenylmethoxycyclohexyl]oxy-trimethylsilane (PubChem CID 69221975) has the molecular formula C29H56O4Si3 and a molecular weight of 553.02 g/mol. Its IUPAC name is [2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methyl-4-phenylmethoxycyclohexyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methyl-4-phenylmethoxycyclohexyl]oxy-trimethylsilane
PubChem CID69221975
Molecular FormulaC29H56O4Si3
Molecular Weight553.02 g/mol
Exact Mass552.35
IUPAC Name[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methyl-4-phenylmethoxycyclohexyl]oxy-trimethylsilane
SMILESCC1(O[Si](C)(C)C)C(O[Si](C)(C)C(C)(C)C)CC(OCc2ccccc2)CC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H56O4Si3/c1-27(2,3)35(11,12)31-25-20-24(30-22-23-18-16-15-17-19-23)21-26(29(25,7)33-34(8,9)10)32-36(13,14)28(4,5)6/h15-19,24-26H,20-22H2,1-14H3
InChIKeyOEYQOPXLHKJPDZ-UHFFFAOYSA-N
XLogP8.76
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.02
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-phenylmethoxycyclohexan-1-ol
CID 101116684
2-[(2R,6S)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexylidene]ethoxy-tert-butyl-dimethylsilane
CID 146028802
tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylmethoxycyclohexyl]oxy-dimethylsilane
CID 67591786
(3R,4S,5S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-bis(phenylmethoxy)cycloheptan-1-ol
CID 101106224
(7E,10S,12S)-10-[tert-butyl(dimethyl)silyl]oxy-12-methyl-5-phenylmethoxy-1-oxacyclododec-7-en-2-one
CID 102168649
(1S,2R,3R,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-4-(phenylmethoxymethyl)cyclohexane-1,2-diol
CID 53473858
tert-butyl-dimethyl-[[1-(phenylmethoxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]oxy]silane
CID 117070284
tert-butyl-[[(8R,9S,10S,11R)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-bis(phenylmethoxy)-1,5-dithiaspiro[5.6]dodecan-11-yl]oxy]-dimethylsilane
CID 11319886
[(2S,3S,5R,6R)-2,6-diacetyloxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexyl] acetate
CID 10031871
(1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol
CID 10616882
(2R,3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-3-[(4-methoxyphenyl)methoxy]-4,4,8-trimethyl-2-phenylmethoxycyclooctan-1-one
CID 10602885
[(2R,3R,3aR,5R,6aS)-3-butyl-6,6-difluoro-5-phenylmethoxy-2,3,3a,4,5,6a-hexahydro-1H-pentalen-2-yl]oxy-tert-butyl-dimethylsilane
CID 15724661

Frequently Asked Questions

What is the IUPAC name of [2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methyl-4-phenylmethoxycyclohexyl]oxy-trimethylsilane?
The IUPAC name of [2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methyl-4-phenylmethoxycyclohexyl]oxy-trimethylsilane (CID 69221975) is [2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methyl-4-phenylmethoxycyclohexyl]oxy-trimethylsilane.
What is the SMILES notation for [2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methyl-4-phenylmethoxycyclohexyl]oxy-trimethylsilane?
The canonical SMILES for [2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methyl-4-phenylmethoxycyclohexyl]oxy-trimethylsilane is CC1(O[Si](C)(C)C)C(O[Si](C)(C)C(C)(C)C)CC(OCc2ccccc2)CC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methyl-4-phenylmethoxycyclohexyl]oxy-trimethylsilane?
The InChIKey is OEYQOPXLHKJPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H56O4Si3/c1-27(2,3)35(11,12)31-25-20-24(30-22-23-18-16-15-17-19-23)21-26(29(25,7)33-34(8,9)10)32-36(13,14)28(4,5)6/h15-19,24-26H,20-22H2,1-14H3.
What are the key properties of [2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methyl-4-phenylmethoxycyclohexyl]oxy-trimethylsilane?
[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methyl-4-phenylmethoxycyclohexyl]oxy-trimethylsilane has a molecular weight of 553.02 g/mol, XLogP of 8.76, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methyl-4-phenylmethoxycyclohexyl]oxy-trimethylsilane is sourced from PubChem (CID 69221975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).