tert-butyl-[(1R,2S,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-pyridin-4-ylcyclohexyl]oxy-dimethylsilane

C24H45NO2Si2 — CID 141339003

IUPACtert-butyl-[(1R,2S,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-pyridin-4-ylcyclohexyl]oxy-dimethylsilane
SMILESC[C@@H]1C[C@@H](c2ccncc2)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H45NO2Si2/c1-18-16-20(19-12-14-25-15-13-19)17-21(26-28(8,9)23(2,3)4)22(18)27-29(10,11)24(5,6)7/h12-15,18,20-22H,16-17H2,1-11H3/t18-,20-,21-,22+/m1/s1
InChIKeyMIWUXPUOKUKXAX-NMIHRBCNSA-N
MW435.80 g/mol
LogP7.38
Rot. Bonds5

About tert-butyl-[(1R,2S,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-pyridin-4-ylcyclohexyl]oxy-dimethylsilane

tert-butyl-[(1R,2S,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-pyridin-4-ylcyclohexyl]oxy-dimethylsilane (PubChem CID 141339003) has the molecular formula C24H45NO2Si2 and a molecular weight of 435.80 g/mol. Its IUPAC name is tert-butyl-[(1R,2S,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-pyridin-4-ylcyclohexyl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1R,2S,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-pyridin-4-ylcyclohexyl]oxy-dimethylsilane
PubChem CID141339003
Molecular FormulaC24H45NO2Si2
Molecular Weight435.80 g/mol
Exact Mass435.30
IUPAC Nametert-butyl-[(1R,2S,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-pyridin-4-ylcyclohexyl]oxy-dimethylsilane
SMILESC[C@@H]1C[C@@H](c2ccncc2)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H45NO2Si2/c1-18-16-20(19-12-14-25-15-13-19)17-21(26-28(8,9)23(2,3)4)22(18)27-29(10,11)24(5,6)7/h12-15,18,20-22H,16-17H2,1-11H3/t18-,20-,21-,22+/m1/s1
InChIKeyMIWUXPUOKUKXAX-NMIHRBCNSA-N
XLogP7.38
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.80
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,4S,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]cyclohexane-1,2-diol
CID 101111315
4-[(1S,2S)-2-methylcyclopropyl]pyridine
CID 40787591
tert-butyl-[(4R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-6-phenylsulfanyloxan-4-yl]oxy-dimethylsilane
CID 135022444
cis-(3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol
CID 91867100
3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-trimethylsilyloxycyclohexan-1-ol
CID 69230457
tert-butyl-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]oxy-dimethylsilane
CID 10728073
tert-butyl-dimethyl-[[(1S,2R,4S,5R)-5-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]silane
CID 12061237
tert-butyl-dimethyl-[(1-methyl-2,3,3a,7a-tetrahydro-1H-inden-2-yl)oxy]silane
CID 20678371
methyl (E)-3-[(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-pyridin-3-yloxolan-3-yl]prop-2-enoate
CID 86748310
(4S,5S,6aS)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5,6,6a-tetrahydro-1H-pentalen-2-one
CID 15835326
tert-butyl N-[(1R,2R)-5-(3-amino-4-pyridinyl)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]carbamate
CID 59455656
methyl (1R,2S,5S)-2-[tert-butyl(dimethyl)silyl]oxy-5-methylcyclopentane-1-carboxylate
CID 101092609

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R,2S,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-pyridin-4-ylcyclohexyl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(1R,2S,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-pyridin-4-ylcyclohexyl]oxy-dimethylsilane (CID 141339003) is tert-butyl-[(1R,2S,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-pyridin-4-ylcyclohexyl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1R,2S,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-pyridin-4-ylcyclohexyl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(1R,2S,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-pyridin-4-ylcyclohexyl]oxy-dimethylsilane is C[C@@H]1C[C@@H](c2ccncc2)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1R,2S,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-pyridin-4-ylcyclohexyl]oxy-dimethylsilane?
The InChIKey is MIWUXPUOKUKXAX-NMIHRBCNSA-N. The full InChI is InChI=1S/C24H45NO2Si2/c1-18-16-20(19-12-14-25-15-13-19)17-21(26-28(8,9)23(2,3)4)22(18)27-29(10,11)24(5,6)7/h12-15,18,20-22H,16-17H2,1-11H3/t18-,20-,21-,22+/m1/s1.
What are the key properties of tert-butyl-[(1R,2S,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-pyridin-4-ylcyclohexyl]oxy-dimethylsilane?
tert-butyl-[(1R,2S,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-pyridin-4-ylcyclohexyl]oxy-dimethylsilane has a molecular weight of 435.80 g/mol, XLogP of 7.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R,2S,3R,5R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-pyridin-4-ylcyclohexyl]oxy-dimethylsilane is sourced from PubChem (CID 141339003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).