ethyl-dimethyl-[11-[4-(5-octylpyrimidin-2-yl)phenoxy]undecyl]silane

C33H56N2OSi — CID 14744865

IUPACethyl-dimethyl-[11-[4-(5-octylpyrimidin-2-yl)phenoxy]undecyl]silane
SMILESCCCCCCCCc1cnc(-c2ccc(OCCCCCCCCCCC[Si](C)(C)CC)cc2)nc1
InChIInChI=1S/C33H56N2OSi/c1-5-7-8-9-15-18-21-30-28-34-33(35-29-30)31-22-24-32(25-23-31)36-26-19-16-13-11-10-12-14-17-20-27-37(3,4)6-2/h22-25,28-29H,5-21,26-27H2,1-4H3
InChIKeyIINCZQBQKRFMEF-UHFFFAOYSA-N
MW524.91 g/mol
LogP10.66
Rot. Bonds22

About ethyl-dimethyl-[11-[4-(5-octylpyrimidin-2-yl)phenoxy]undecyl]silane

ethyl-dimethyl-[11-[4-(5-octylpyrimidin-2-yl)phenoxy]undecyl]silane (PubChem CID 14744865) has the molecular formula C33H56N2OSi and a molecular weight of 524.91 g/mol. Its IUPAC name is ethyl-dimethyl-[11-[4-(5-octylpyrimidin-2-yl)phenoxy]undecyl]silane.

Molecular Properties

Compound Nameethyl-dimethyl-[11-[4-(5-octylpyrimidin-2-yl)phenoxy]undecyl]silane
PubChem CID14744865
Molecular FormulaC33H56N2OSi
Molecular Weight524.91 g/mol
Exact Mass524.42
IUPAC Nameethyl-dimethyl-[11-[4-(5-octylpyrimidin-2-yl)phenoxy]undecyl]silane
SMILESCCCCCCCCc1cnc(-c2ccc(OCCCCCCCCCCC[Si](C)(C)CC)cc2)nc1
InChIInChI=1S/C33H56N2OSi/c1-5-7-8-9-15-18-21-30-28-34-33(35-29-30)31-22-24-32(25-23-31)36-26-19-16-13-11-10-12-14-17-20-27-37(3,4)6-2/h22-25,28-29H,5-21,26-27H2,1-4H3
InChIKeyIINCZQBQKRFMEF-UHFFFAOYSA-N
XLogP10.66
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.91
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl-dimethyl-[11-[4-(5-octylpyrimidin-2-yl)phenoxy]undecyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl-[8-[4-(5-octylpyrimidin-2-yl)phenoxy]octyl]-(trimethylsilylmethyl)silane
CID 22677041
5-hexyl-2-(4-octoxyphenyl)pyrimidine
CID 3126246
2-(4-butoxyphenyl)-5-octylpyrimidine;hexane;propane
CID 159870433
dimethyl-[4-[4-(5-octylpyrimidin-2-yl)phenoxy]butyl]-(3,3,3-trifluoropropyl)silane
CID 20726337
5-octyl-2-[4-[3-[4-[4-[3-[4-(5-octylpyrimidin-2-yl)phenoxy]propoxy]phenyl]phenoxy]propoxy]phenyl]pyrimidine
CID 177473133
2-[4-[(4-hexoxyphenyl)methoxy]phenyl]-5-nonylpyrimidine
CID 21288728
5-dodecyl-2-[4-[7-[4-(4-methoxyphenyl)phenoxy]heptoxy]phenyl]pyrimidine
CID 101389070
5-octyl-2-[4-[6-[3-[6-[4-(5-octylpyrimidin-2-yl)phenoxy]hexoxy]phenoxy]hexoxy]phenyl]pyrimidine
CID 101382006
2-(4-butoxyphenyl)-5-octylpyrimidine;trifluoroborane;fluoride
CID 158372966
5-decyl-2-[4-(2-methoxyethoxy)phenyl]pyrimidine
CID 19891536
5-decyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine;5-nonyl-2-[4-(2-propoxyethoxy)phenyl]pyrimidine
CID 161112053
2-(4-decoxyphenyl)-5-(5-fluorohexyl)pyrimidine
CID 139691650

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-[11-[4-(5-octylpyrimidin-2-yl)phenoxy]undecyl]silane?
The IUPAC name of ethyl-dimethyl-[11-[4-(5-octylpyrimidin-2-yl)phenoxy]undecyl]silane (CID 14744865) is ethyl-dimethyl-[11-[4-(5-octylpyrimidin-2-yl)phenoxy]undecyl]silane.
What is the SMILES notation for ethyl-dimethyl-[11-[4-(5-octylpyrimidin-2-yl)phenoxy]undecyl]silane?
The canonical SMILES for ethyl-dimethyl-[11-[4-(5-octylpyrimidin-2-yl)phenoxy]undecyl]silane is CCCCCCCCc1cnc(-c2ccc(OCCCCCCCCCCC[Si](C)(C)CC)cc2)nc1.
What is the InChIKey of ethyl-dimethyl-[11-[4-(5-octylpyrimidin-2-yl)phenoxy]undecyl]silane?
The InChIKey is IINCZQBQKRFMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H56N2OSi/c1-5-7-8-9-15-18-21-30-28-34-33(35-29-30)31-22-24-32(25-23-31)36-26-19-16-13-11-10-12-14-17-20-27-37(3,4)6-2/h22-25,28-29H,5-21,26-27H2,1-4H3.
What are the key properties of ethyl-dimethyl-[11-[4-(5-octylpyrimidin-2-yl)phenoxy]undecyl]silane?
ethyl-dimethyl-[11-[4-(5-octylpyrimidin-2-yl)phenoxy]undecyl]silane has a molecular weight of 524.91 g/mol, XLogP of 10.66, 22 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-[11-[4-(5-octylpyrimidin-2-yl)phenoxy]undecyl]silane is sourced from PubChem (CID 14744865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).