[dimethyl(trimethylsilylmethyl)silyl]methyl-[11-[5-(4-hexoxyphenyl)pyrimidin-2-yl]oxyundecyl]-dimethylsilane

C36H66N2O2Si3 — CID 102334406

IUPAC[dimethyl(trimethylsilylmethyl)silyl]methyl-[11-[5-(4-hexoxyphenyl)pyrimidin-2-yl]oxyundecyl]-dimethylsilane
SMILESCCCCCCOc1ccc(-c2cnc(OCCCCCCCCCCC[Si](C)(C)C[Si](C)(C)C[Si](C)(C)C)nc2)cc1
InChIInChI=1S/C36H66N2O2Si3/c1-9-10-11-19-26-39-35-24-22-33(23-25-35)34-29-37-36(38-30-34)40-27-20-17-15-13-12-14-16-18-21-28-42(5,6)32-43(7,8)31-41(2,3)4/h22-25,29-30H,9-21,26-28,31-32H2,1-8H3
InChIKeyQERBROOBQVMEKO-UHFFFAOYSA-N
MW643.19 g/mol
LogP11.83
Rot. Bonds24

About [dimethyl(trimethylsilylmethyl)silyl]methyl-[11-[5-(4-hexoxyphenyl)pyrimidin-2-yl]oxyundecyl]-dimethylsilane

[dimethyl(trimethylsilylmethyl)silyl]methyl-[11-[5-(4-hexoxyphenyl)pyrimidin-2-yl]oxyundecyl]-dimethylsilane (PubChem CID 102334406) has the molecular formula C36H66N2O2Si3 and a molecular weight of 643.19 g/mol. Its IUPAC name is [dimethyl(trimethylsilylmethyl)silyl]methyl-[11-[5-(4-hexoxyphenyl)pyrimidin-2-yl]oxyundecyl]-dimethylsilane.

Molecular Properties

Compound Name[dimethyl(trimethylsilylmethyl)silyl]methyl-[11-[5-(4-hexoxyphenyl)pyrimidin-2-yl]oxyundecyl]-dimethylsilane
PubChem CID102334406
Molecular FormulaC36H66N2O2Si3
Molecular Weight643.19 g/mol
Exact Mass642.44
IUPAC Name[dimethyl(trimethylsilylmethyl)silyl]methyl-[11-[5-(4-hexoxyphenyl)pyrimidin-2-yl]oxyundecyl]-dimethylsilane
SMILESCCCCCCOc1ccc(-c2cnc(OCCCCCCCCCCC[Si](C)(C)C[Si](C)(C)C[Si](C)(C)C)nc2)cc1
InChIInChI=1S/C36H66N2O2Si3/c1-9-10-11-19-26-39-35-24-22-33(23-25-35)34-29-37-36(38-30-34)40-27-20-17-15-13-12-14-16-18-21-28-42(5,6)32-43(7,8)31-41(2,3)4/h22-25,29-30H,9-21,26-28,31-32H2,1-8H3
InChIKeyQERBROOBQVMEKO-UHFFFAOYSA-N
XLogP11.83
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.19
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[dimethyl-[11-[5-(4-octoxyphenyl)pyrimidin-2-yl]oxyundecyl]silyl]methyl-dimethyl-(trimethylsilylmethyl)silane
CID 102334408
ethyl-dimethyl-[6-[4-(2-octoxypyrimidin-5-yl)phenoxy]hexyl]silane
CID 18964605
11-[4-[2-[(2R,3S)-2,3-difluorohexoxy]pyrimidin-5-yl]phenoxy]undecyl-[[dimethyl(trimethylsilylmethyl)silyl]methyl]-dimethylsilane
CID 122231220
dimethyl-[8-[4-(5-octylpyrimidin-2-yl)phenoxy]octyl]-(trimethylsilylmethyl)silane
CID 22677041
5-[4-(7-methyloctoxy)phenyl]-2-nonoxypyrimidine
CID 67864487
2,5-bis(4-hexoxyphenyl)pyrimidine
CID 23167568
5-(4-decoxyphenyl)-2-[(5R)-5-fluoroheptoxy]pyrimidine
CID 101074691
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
5-[4-[(2R,3R)-2,3-difluorohexoxy]phenyl]-2-octoxypyrimidine
CID 18658272
5-[4-(2-butoxy-3,3,3-trifluoropropoxy)phenyl]-2-nonoxypyrimidine
CID 22913395
[4-(2-octoxypyrimidin-5-yl)phenyl] trifluoromethanesulfonate
CID 23238465

Frequently Asked Questions

What is the IUPAC name of [dimethyl(trimethylsilylmethyl)silyl]methyl-[11-[5-(4-hexoxyphenyl)pyrimidin-2-yl]oxyundecyl]-dimethylsilane?
The IUPAC name of [dimethyl(trimethylsilylmethyl)silyl]methyl-[11-[5-(4-hexoxyphenyl)pyrimidin-2-yl]oxyundecyl]-dimethylsilane (CID 102334406) is [dimethyl(trimethylsilylmethyl)silyl]methyl-[11-[5-(4-hexoxyphenyl)pyrimidin-2-yl]oxyundecyl]-dimethylsilane.
What is the SMILES notation for [dimethyl(trimethylsilylmethyl)silyl]methyl-[11-[5-(4-hexoxyphenyl)pyrimidin-2-yl]oxyundecyl]-dimethylsilane?
The canonical SMILES for [dimethyl(trimethylsilylmethyl)silyl]methyl-[11-[5-(4-hexoxyphenyl)pyrimidin-2-yl]oxyundecyl]-dimethylsilane is CCCCCCOc1ccc(-c2cnc(OCCCCCCCCCCC[Si](C)(C)C[Si](C)(C)C[Si](C)(C)C)nc2)cc1.
What is the InChIKey of [dimethyl(trimethylsilylmethyl)silyl]methyl-[11-[5-(4-hexoxyphenyl)pyrimidin-2-yl]oxyundecyl]-dimethylsilane?
The InChIKey is QERBROOBQVMEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H66N2O2Si3/c1-9-10-11-19-26-39-35-24-22-33(23-25-35)34-29-37-36(38-30-34)40-27-20-17-15-13-12-14-16-18-21-28-42(5,6)32-43(7,8)31-41(2,3)4/h22-25,29-30H,9-21,26-28,31-32H2,1-8H3.
What are the key properties of [dimethyl(trimethylsilylmethyl)silyl]methyl-[11-[5-(4-hexoxyphenyl)pyrimidin-2-yl]oxyundecyl]-dimethylsilane?
[dimethyl(trimethylsilylmethyl)silyl]methyl-[11-[5-(4-hexoxyphenyl)pyrimidin-2-yl]oxyundecyl]-dimethylsilane has a molecular weight of 643.19 g/mol, XLogP of 11.83, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(trimethylsilylmethyl)silyl]methyl-[11-[5-(4-hexoxyphenyl)pyrimidin-2-yl]oxyundecyl]-dimethylsilane is sourced from PubChem (CID 102334406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).