2-[4-(5-decylpyrimidin-2-yl)phenoxy]ethyl-(2-methylbutylsilylmethoxymethyl)silane;2-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl-[dimethyl(3-methylpentyl)silyl]oxy-dimethylsilane

C62H106F2N2O4Si4 — CID 160868091

IUPAC2-[4-(5-decylpyrimidin-2-yl)phenoxy]ethyl-(2-methylbutylsilylmethoxymethyl)silane;2-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl-[dimethyl(3-methylpentyl)silyl]oxy-dimethylsilane
SMILESCCCC1CCC(C2CC=C(c3ccc(OCC[Si](C)(C)O[Si](C)(C)CCC(C)CC)c(F)c3F)CC2)CC1.CCCCCCCCCCc1cnc(-c2ccc(OCC[SiH2]COC[SiH2]CC(C)CC)cc2)nc1
InChIInChI=1S/C33H56F2O2Si2.C29H50N2O2Si2/c1-8-10-26-11-13-27(14-12-26)28-15-17-29(18-16-28)30-19-20-31(33(35)32(30)34)36-22-24-39(6,7)37-38(4,5)23-21-25(3)9-2;1-4-6-7-8-9-10-11-12-13-26-20-30-29(31-21-26)27-14-16-28(17-15-27)33-18-19-34-23-32-24-35-22-25(3)5-2/h17,19-20,25-28H,8-16,18,21-24H2,1-7H3;14-17,20-21,25H,4-13,18-19,22-24,34-35H2,1-3H3
InChIKeySLJYWKGCHMEHMR-UHFFFAOYSA-N
MW1093.88 g/mol
LogP17.35
Rot. Bonds35

About 2-[4-(5-decylpyrimidin-2-yl)phenoxy]ethyl-(2-methylbutylsilylmethoxymethyl)silane;2-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl-[dimethyl(3-methylpentyl)silyl]oxy-dimethylsilane

2-[4-(5-decylpyrimidin-2-yl)phenoxy]ethyl-(2-methylbutylsilylmethoxymethyl)silane;2-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl-[dimethyl(3-methylpentyl)silyl]oxy-dimethylsilane (PubChem CID 160868091) has the molecular formula C62H106F2N2O4Si4 and a molecular weight of 1093.88 g/mol. Its IUPAC name is 2-[4-(5-decylpyrimidin-2-yl)phenoxy]ethyl-(2-methylbutylsilylmethoxymethyl)silane;2-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl-[dimethyl(3-methylpentyl)silyl]oxy-dimethylsilane.

Molecular Properties

Compound Name2-[4-(5-decylpyrimidin-2-yl)phenoxy]ethyl-(2-methylbutylsilylmethoxymethyl)silane;2-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl-[dimethyl(3-methylpentyl)silyl]oxy-dimethylsilane
PubChem CID160868091
Molecular FormulaC62H106F2N2O4Si4
Molecular Weight1093.88 g/mol
Exact Mass1092.72
IUPAC Name2-[4-(5-decylpyrimidin-2-yl)phenoxy]ethyl-(2-methylbutylsilylmethoxymethyl)silane;2-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl-[dimethyl(3-methylpentyl)silyl]oxy-dimethylsilane
SMILESCCCC1CCC(C2CC=C(c3ccc(OCC[Si](C)(C)O[Si](C)(C)CCC(C)CC)c(F)c3F)CC2)CC1.CCCCCCCCCCc1cnc(-c2ccc(OCC[SiH2]COC[SiH2]CC(C)CC)cc2)nc1
InChIInChI=1S/C33H56F2O2Si2.C29H50N2O2Si2/c1-8-10-26-11-13-27(14-12-26)28-15-17-29(18-16-28)30-19-20-31(33(35)32(30)34)36-22-24-39(6,7)37-38(4,5)23-21-25(3)9-2;1-4-6-7-8-9-10-11-12-13-26-20-30-29(31-21-26)27-14-16-28(17-15-27)33-18-19-34-23-32-24-35-22-25(3)5-2/h17,19-20,25-28H,8-16,18,21-24H2,1-7H3;14-17,20-21,25H,4-13,18-19,22-24,34-35H2,1-3H3
InChIKeySLJYWKGCHMEHMR-UHFFFAOYSA-N
XLogP17.35
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds35
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001093.88
LogP ≤ 517.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

4-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]butyl-[3-[dimethyl(3-methylpentyl)silyl]propyl]-dimethylsilane
CID 69029811
1-[4-[2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-2,3-difluoro-4-propoxybenzene
CID 67739921
1-[4-[2,3-difluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexen-1-yl]phenyl]phenyl]-2,3-difluoro-4-pentoxybenzene
CID 67740248
1-butoxy-2-chloro-3-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexen-1-yl]benzene
CID 59256978
1-[4-[2,3-difluoro-4-[4-(4-octylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-2,3-difluoro-4-[(Z)-pent-3-enoxy]benzene
CID 67740337
1-[4-[2,3-difluoro-4-[4-(4-hexylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-2,3-difluoro-4-pent-4-enoxybenzene
CID 67740320
5-[(4S)-4-methylhexyl]-2-[4-[3-(4-pentylcyclohexyl)propoxy]phenyl]pyrimidine
CID 54137469
1-butoxy-2,3-difluoro-4-[(4R)-4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene;trans-(2S,5R)-2-(4-butoxy-2,3-difluorophenyl)-5-(4-propylcyclohexyl)cyclohexan-1-ol
CID 162034019
1-[4-(2,3-difluoro-4-methoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]benzene
CID 67739856
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-4-pentoxybenzene
CID 67738967
2,3-difluoro-1-[4-[3-fluoro-4-[4-(4-pent-3-enylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-4-hexoxybenzene
CID 77345723
2,3-difluoro-1-[4-[3-fluoro-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexen-1-yl]phenyl]phenyl]-4-hexoxybenzene
CID 67739701

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-decylpyrimidin-2-yl)phenoxy]ethyl-(2-methylbutylsilylmethoxymethyl)silane;2-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl-[dimethyl(3-methylpentyl)silyl]oxy-dimethylsilane?
The IUPAC name of 2-[4-(5-decylpyrimidin-2-yl)phenoxy]ethyl-(2-methylbutylsilylmethoxymethyl)silane;2-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl-[dimethyl(3-methylpentyl)silyl]oxy-dimethylsilane (CID 160868091) is 2-[4-(5-decylpyrimidin-2-yl)phenoxy]ethyl-(2-methylbutylsilylmethoxymethyl)silane;2-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl-[dimethyl(3-methylpentyl)silyl]oxy-dimethylsilane.
What is the SMILES notation for 2-[4-(5-decylpyrimidin-2-yl)phenoxy]ethyl-(2-methylbutylsilylmethoxymethyl)silane;2-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl-[dimethyl(3-methylpentyl)silyl]oxy-dimethylsilane?
The canonical SMILES for 2-[4-(5-decylpyrimidin-2-yl)phenoxy]ethyl-(2-methylbutylsilylmethoxymethyl)silane;2-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl-[dimethyl(3-methylpentyl)silyl]oxy-dimethylsilane is CCCC1CCC(C2CC=C(c3ccc(OCC[Si](C)(C)O[Si](C)(C)CCC(C)CC)c(F)c3F)CC2)CC1.CCCCCCCCCCc1cnc(-c2ccc(OCC[SiH2]COC[SiH2]CC(C)CC)cc2)nc1.
What is the InChIKey of 2-[4-(5-decylpyrimidin-2-yl)phenoxy]ethyl-(2-methylbutylsilylmethoxymethyl)silane;2-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl-[dimethyl(3-methylpentyl)silyl]oxy-dimethylsilane?
The InChIKey is SLJYWKGCHMEHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H56F2O2Si2.C29H50N2O2Si2/c1-8-10-26-11-13-27(14-12-26)28-15-17-29(18-16-28)30-19-20-31(33(35)32(30)34)36-22-24-39(6,7)37-38(4,5)23-21-25(3)9-2;1-4-6-7-8-9-10-11-12-13-26-20-30-29(31-21-26)27-14-16-28(17-15-27)33-18-19-34-23-32-24-35-22-25(3)5-2/h17,19-20,25-28H,8-16,18,21-24H2,1-7H3;14-17,20-21,25H,4-13,18-19,22-24,34-35H2,1-3H3.
What are the key properties of 2-[4-(5-decylpyrimidin-2-yl)phenoxy]ethyl-(2-methylbutylsilylmethoxymethyl)silane;2-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl-[dimethyl(3-methylpentyl)silyl]oxy-dimethylsilane?
2-[4-(5-decylpyrimidin-2-yl)phenoxy]ethyl-(2-methylbutylsilylmethoxymethyl)silane;2-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl-[dimethyl(3-methylpentyl)silyl]oxy-dimethylsilane has a molecular weight of 1093.88 g/mol, XLogP of 17.35, 35 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-decylpyrimidin-2-yl)phenoxy]ethyl-(2-methylbutylsilylmethoxymethyl)silane;2-[2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexen-1-yl]phenoxy]ethyl-[dimethyl(3-methylpentyl)silyl]oxy-dimethylsilane is sourced from PubChem (CID 160868091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).