tert-butyl-[[2-[(4S)-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-methylcyclohexen-1-yl]pyrimidin-4-yl]methoxy]-dimethylsilane

C30H54N2O7Si — CID 150467451

IUPACtert-butyl-[[2-[(4S)-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-methylcyclohexen-1-yl]pyrimidin-4-yl]methoxy]-dimethylsilane
SMILESCOCCOCCOCCOCCOCCOC[C@]1(C)CC=C(c2nccc(CO[Si](C)(C)C(C)(C)C)n2)CC1
InChIInChI=1S/C30H54N2O7Si/c1-29(2,3)40(6,7)39-24-27-10-13-31-28(32-27)26-8-11-30(4,12-9-26)25-38-23-22-37-21-20-36-19-18-35-17-16-34-15-14-33-5/h8,10,13H,9,11-12,14-25H2,1-7H3/t30-/m1/s1
InChIKeyHRBYAOLFHDWHRO-SSEXGKCCSA-N
MW582.86 g/mol
LogP5.30
Rot. Bonds21

About tert-butyl-[[2-[(4S)-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-methylcyclohexen-1-yl]pyrimidin-4-yl]methoxy]-dimethylsilane

tert-butyl-[[2-[(4S)-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-methylcyclohexen-1-yl]pyrimidin-4-yl]methoxy]-dimethylsilane (PubChem CID 150467451) has the molecular formula C30H54N2O7Si and a molecular weight of 582.86 g/mol. Its IUPAC name is tert-butyl-[[2-[(4S)-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-methylcyclohexen-1-yl]pyrimidin-4-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[2-[(4S)-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-methylcyclohexen-1-yl]pyrimidin-4-yl]methoxy]-dimethylsilane
PubChem CID150467451
Molecular FormulaC30H54N2O7Si
Molecular Weight582.86 g/mol
Exact Mass582.37
IUPAC Nametert-butyl-[[2-[(4S)-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-methylcyclohexen-1-yl]pyrimidin-4-yl]methoxy]-dimethylsilane
SMILESCOCCOCCOCCOCCOCCOC[C@]1(C)CC=C(c2nccc(CO[Si](C)(C)C(C)(C)C)n2)CC1
InChIInChI=1S/C30H54N2O7Si/c1-29(2,3)40(6,7)39-24-27-10-13-31-28(32-27)26-8-11-30(4,12-9-26)25-38-23-22-37-21-20-36-19-18-35-17-16-34-15-14-33-5/h8,10,13H,9,11-12,14-25H2,1-7H3/t30-/m1/s1
InChIKeyHRBYAOLFHDWHRO-SSEXGKCCSA-N
XLogP5.30
TPSA90.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.86
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-1-methylcyclohex-3-en-1-yl]methanol
CID 154608214
ethyl 4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-1-methylcyclohex-3-ene-1-carboxylate
CID 151792264
[2-[4-fluoro-4-[2-(2-methoxyethoxy)ethoxymethyl]cyclohexen-1-yl]pyrimidin-4-yl]methanol
CID 150790067
[2-[4-[2-[2-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethoxy]ethoxy]phenyl]pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane
CID 154608144
tert-butyl-[[2-[(2R)-2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]morpholin-4-yl]pyrimidin-4-yl]methoxy]-dimethylsilane
CID 154608132
tert-butyl (11R,20R)-23,26-dichloro-3-(4-fluorophenyl)-14-[[2-[(4R)-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-methylcyclohexen-1-yl]pyrimidin-4-yl]methoxy]-24,25-dimethyl-20-[(4-methylpiperazin-1-yl)methyl]-10,18,21-trioxa-4-thia-6,8-diazapentacyclo[20.2.2.12,5.113,17.09,28]octacosa-1(25),2,5,7,9(28),13,15,17(27),22(26),23-decaene-11-carboxylate
CID 175966321
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]cyclobutan-1-ol
CID 150333983
2-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]ethanol
CID 150670696
tert-butyl-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-dimethylsilane
CID 91694118
3-[2-[[1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-4-fluoropiperidin-4-yl]methoxy]ethoxy]propane-1,2-diol
CID 151882012
[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl]methanol
CID 152503696
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]-3,3-difluorocyclobutan-1-ol
CID 154620683

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[2-[(4S)-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-methylcyclohexen-1-yl]pyrimidin-4-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[2-[(4S)-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-methylcyclohexen-1-yl]pyrimidin-4-yl]methoxy]-dimethylsilane (CID 150467451) is tert-butyl-[[2-[(4S)-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-methylcyclohexen-1-yl]pyrimidin-4-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[2-[(4S)-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-methylcyclohexen-1-yl]pyrimidin-4-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[2-[(4S)-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-methylcyclohexen-1-yl]pyrimidin-4-yl]methoxy]-dimethylsilane is COCCOCCOCCOCCOCCOC[C@]1(C)CC=C(c2nccc(CO[Si](C)(C)C(C)(C)C)n2)CC1.
What is the InChIKey of tert-butyl-[[2-[(4S)-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-methylcyclohexen-1-yl]pyrimidin-4-yl]methoxy]-dimethylsilane?
The InChIKey is HRBYAOLFHDWHRO-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H54N2O7Si/c1-29(2,3)40(6,7)39-24-27-10-13-31-28(32-27)26-8-11-30(4,12-9-26)25-38-23-22-37-21-20-36-19-18-35-17-16-34-15-14-33-5/h8,10,13H,9,11-12,14-25H2,1-7H3/t30-/m1/s1.
What are the key properties of tert-butyl-[[2-[(4S)-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-methylcyclohexen-1-yl]pyrimidin-4-yl]methoxy]-dimethylsilane?
tert-butyl-[[2-[(4S)-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-methylcyclohexen-1-yl]pyrimidin-4-yl]methoxy]-dimethylsilane has a molecular weight of 582.86 g/mol, XLogP of 5.30, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[2-[(4S)-4-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]-4-methylcyclohexen-1-yl]pyrimidin-4-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 150467451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).