[4-(4,6-dichloro-2-methylpyrimidin-5-yl)-2,2-dimethylhept-6-en-3-yl]oxy-diphenylsilane

C26H30Cl2N2OSi — CID 173226860

IUPAC[4-(4,6-dichloro-2-methylpyrimidin-5-yl)-2,2-dimethylhept-6-en-3-yl]oxy-diphenylsilane
SMILESC=CCC(c1c(Cl)nc(C)nc1Cl)C(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H30Cl2N2OSi/c1-6-13-21(22-24(27)29-18(2)30-25(22)28)23(26(3,4)5)31-32(19-14-9-7-10-15-19)20-16-11-8-12-17-20/h6-12,14-17,21,23,32H,1,13H2,2-5H3
InChIKeyVKCAMZUKTGECMR-UHFFFAOYSA-N
MW485.53 g/mol
LogP5.72
Rot. Bonds8

About [4-(4,6-dichloro-2-methylpyrimidin-5-yl)-2,2-dimethylhept-6-en-3-yl]oxy-diphenylsilane

[4-(4,6-dichloro-2-methylpyrimidin-5-yl)-2,2-dimethylhept-6-en-3-yl]oxy-diphenylsilane (PubChem CID 173226860) has the molecular formula C26H30Cl2N2OSi and a molecular weight of 485.53 g/mol. Its IUPAC name is [4-(4,6-dichloro-2-methylpyrimidin-5-yl)-2,2-dimethylhept-6-en-3-yl]oxy-diphenylsilane.

Molecular Properties

Compound Name[4-(4,6-dichloro-2-methylpyrimidin-5-yl)-2,2-dimethylhept-6-en-3-yl]oxy-diphenylsilane
PubChem CID173226860
Molecular FormulaC26H30Cl2N2OSi
Molecular Weight485.53 g/mol
Exact Mass484.15
IUPAC Name[4-(4,6-dichloro-2-methylpyrimidin-5-yl)-2,2-dimethylhept-6-en-3-yl]oxy-diphenylsilane
SMILESC=CCC(c1c(Cl)nc(C)nc1Cl)C(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H30Cl2N2OSi/c1-6-13-21(22-24(27)29-18(2)30-25(22)28)23(26(3,4)5)31-32(19-14-9-7-10-15-19)20-16-11-8-12-17-20/h6-12,14-17,21,23,32H,1,13H2,2-5H3
InChIKeyVKCAMZUKTGECMR-UHFFFAOYSA-N
XLogP5.72
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.53
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4,6-dichloro-2-methylpyrimidin-5-yl)-2,2-dimethylhept-6-en-3-yl]oxy-diphenylsilane?
The IUPAC name of [4-(4,6-dichloro-2-methylpyrimidin-5-yl)-2,2-dimethylhept-6-en-3-yl]oxy-diphenylsilane (CID 173226860) is [4-(4,6-dichloro-2-methylpyrimidin-5-yl)-2,2-dimethylhept-6-en-3-yl]oxy-diphenylsilane.
What is the SMILES notation for [4-(4,6-dichloro-2-methylpyrimidin-5-yl)-2,2-dimethylhept-6-en-3-yl]oxy-diphenylsilane?
The canonical SMILES for [4-(4,6-dichloro-2-methylpyrimidin-5-yl)-2,2-dimethylhept-6-en-3-yl]oxy-diphenylsilane is C=CCC(c1c(Cl)nc(C)nc1Cl)C(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C.
What is the InChIKey of [4-(4,6-dichloro-2-methylpyrimidin-5-yl)-2,2-dimethylhept-6-en-3-yl]oxy-diphenylsilane?
The InChIKey is VKCAMZUKTGECMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30Cl2N2OSi/c1-6-13-21(22-24(27)29-18(2)30-25(22)28)23(26(3,4)5)31-32(19-14-9-7-10-15-19)20-16-11-8-12-17-20/h6-12,14-17,21,23,32H,1,13H2,2-5H3.
What are the key properties of [4-(4,6-dichloro-2-methylpyrimidin-5-yl)-2,2-dimethylhept-6-en-3-yl]oxy-diphenylsilane?
[4-(4,6-dichloro-2-methylpyrimidin-5-yl)-2,2-dimethylhept-6-en-3-yl]oxy-diphenylsilane has a molecular weight of 485.53 g/mol, XLogP of 5.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,6-dichloro-2-methylpyrimidin-5-yl)-2,2-dimethylhept-6-en-3-yl]oxy-diphenylsilane is sourced from PubChem (CID 173226860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).