7-[2-(4-decoxyphenyl)pyrimidin-5-yl]heptan-2-yloxy-trimethylsilane

C30H50N2O2Si — CID 139657691

IUPAC7-[2-(4-decoxyphenyl)pyrimidin-5-yl]heptan-2-yloxy-trimethylsilane
SMILESCCCCCCCCCCOc1ccc(-c2ncc(CCCCCC(C)O[Si](C)(C)C)cn2)cc1
InChIInChI=1S/C30H50N2O2Si/c1-6-7-8-9-10-11-12-16-23-33-29-21-19-28(20-22-29)30-31-24-27(25-32-30)18-15-13-14-17-26(2)34-35(3,4)5/h19-22,24-26H,6-18,23H2,1-5H3
InChIKeyBFCMPHHQNFZXHJ-UHFFFAOYSA-N
MW498.83 g/mol
LogP9.01
Rot. Bonds19

About 7-[2-(4-decoxyphenyl)pyrimidin-5-yl]heptan-2-yloxy-trimethylsilane

7-[2-(4-decoxyphenyl)pyrimidin-5-yl]heptan-2-yloxy-trimethylsilane (PubChem CID 139657691) has the molecular formula C30H50N2O2Si and a molecular weight of 498.83 g/mol. Its IUPAC name is 7-[2-(4-decoxyphenyl)pyrimidin-5-yl]heptan-2-yloxy-trimethylsilane.

Molecular Properties

Compound Name7-[2-(4-decoxyphenyl)pyrimidin-5-yl]heptan-2-yloxy-trimethylsilane
PubChem CID139657691
Molecular FormulaC30H50N2O2Si
Molecular Weight498.83 g/mol
Exact Mass498.36
IUPAC Name7-[2-(4-decoxyphenyl)pyrimidin-5-yl]heptan-2-yloxy-trimethylsilane
SMILESCCCCCCCCCCOc1ccc(-c2ncc(CCCCCC(C)O[Si](C)(C)C)cn2)cc1
InChIInChI=1S/C30H50N2O2Si/c1-6-7-8-9-10-11-12-16-23-33-29-21-19-28(20-22-29)30-31-24-27(25-32-30)18-15-13-14-17-26(2)34-35(3,4)5/h19-22,24-26H,6-18,23H2,1-5H3
InChIKeyBFCMPHHQNFZXHJ-UHFFFAOYSA-N
XLogP9.01
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.83
LogP ≤ 59.01
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

2-[4-(4-octoxypentoxy)phenyl]-5-octylpyrimidine
CID 14388356
5-dodecyl-2-[4-[(6S)-6-methyloctoxy]phenyl]pyrimidine
CID 18611632
2-(4-decoxyphenyl)-5-(5-fluorohexyl)pyrimidine
CID 139691650
2-[4-[(6S)-6-methyloctoxy]phenyl]-5-tetradecylpyrimidine
CID 18611661
5-hexyl-2-(4-octoxyphenyl)pyrimidine
CID 3126246
5-decyl-2-[4-(4-propoxypentoxy)phenyl]pyrimidine
CID 14388357
2-(4-butoxyphenyl)-5-octylpyrimidine;hexane;propane
CID 159870433
5-heptyl-2-[4-(4-methylhexoxy)phenyl]pyrimidine
CID 14178076
5-heptyl-2-[4-(4-octan-2-yloxyphenyl)phenyl]pyrimidine
CID 19991217
5-octyl-2-[4-[3-[4-[4-[3-[4-(5-octylpyrimidin-2-yl)phenoxy]propoxy]phenyl]phenoxy]propoxy]phenyl]pyrimidine
CID 177473133
2-[4-(3-fluorobutoxy)phenyl]-5-hexylpyrimidine
CID 19380613
4-[5-(5-trimethylsilyloxyhexyl)pyrimidin-2-yl]phenol
CID 139657253

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-decoxyphenyl)pyrimidin-5-yl]heptan-2-yloxy-trimethylsilane?
The IUPAC name of 7-[2-(4-decoxyphenyl)pyrimidin-5-yl]heptan-2-yloxy-trimethylsilane (CID 139657691) is 7-[2-(4-decoxyphenyl)pyrimidin-5-yl]heptan-2-yloxy-trimethylsilane.
What is the SMILES notation for 7-[2-(4-decoxyphenyl)pyrimidin-5-yl]heptan-2-yloxy-trimethylsilane?
The canonical SMILES for 7-[2-(4-decoxyphenyl)pyrimidin-5-yl]heptan-2-yloxy-trimethylsilane is CCCCCCCCCCOc1ccc(-c2ncc(CCCCCC(C)O[Si](C)(C)C)cn2)cc1.
What is the InChIKey of 7-[2-(4-decoxyphenyl)pyrimidin-5-yl]heptan-2-yloxy-trimethylsilane?
The InChIKey is BFCMPHHQNFZXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H50N2O2Si/c1-6-7-8-9-10-11-12-16-23-33-29-21-19-28(20-22-29)30-31-24-27(25-32-30)18-15-13-14-17-26(2)34-35(3,4)5/h19-22,24-26H,6-18,23H2,1-5H3.
What are the key properties of 7-[2-(4-decoxyphenyl)pyrimidin-5-yl]heptan-2-yloxy-trimethylsilane?
7-[2-(4-decoxyphenyl)pyrimidin-5-yl]heptan-2-yloxy-trimethylsilane has a molecular weight of 498.83 g/mol, XLogP of 9.01, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-decoxyphenyl)pyrimidin-5-yl]heptan-2-yloxy-trimethylsilane is sourced from PubChem (CID 139657691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).