ethyl-dimethyl-[6-[4-(2-octoxypyrimidin-5-yl)phenoxy]hexyl]silane

C28H46N2O2Si — CID 18964605

IUPACethyl-dimethyl-[6-[4-(2-octoxypyrimidin-5-yl)phenoxy]hexyl]silane
SMILESCCCCCCCCOc1ncc(-c2ccc(OCCCCCC[Si](C)(C)CC)cc2)cn1
InChIInChI=1S/C28H46N2O2Si/c1-5-7-8-9-10-14-21-32-28-29-23-26(24-30-28)25-16-18-27(19-17-25)31-20-13-11-12-15-22-33(3,4)6-2/h16-19,23-24H,5-15,20-22H2,1-4H3
InChIKeyINUYXDXRWYHAJY-UHFFFAOYSA-N
MW470.77 g/mol
LogP8.55
Rot. Bonds18

About ethyl-dimethyl-[6-[4-(2-octoxypyrimidin-5-yl)phenoxy]hexyl]silane

ethyl-dimethyl-[6-[4-(2-octoxypyrimidin-5-yl)phenoxy]hexyl]silane (PubChem CID 18964605) has the molecular formula C28H46N2O2Si and a molecular weight of 470.77 g/mol. Its IUPAC name is ethyl-dimethyl-[6-[4-(2-octoxypyrimidin-5-yl)phenoxy]hexyl]silane.

Molecular Properties

Compound Nameethyl-dimethyl-[6-[4-(2-octoxypyrimidin-5-yl)phenoxy]hexyl]silane
PubChem CID18964605
Molecular FormulaC28H46N2O2Si
Molecular Weight470.77 g/mol
Exact Mass470.33
IUPAC Nameethyl-dimethyl-[6-[4-(2-octoxypyrimidin-5-yl)phenoxy]hexyl]silane
SMILESCCCCCCCCOc1ncc(-c2ccc(OCCCCCC[Si](C)(C)CC)cc2)cn1
InChIInChI=1S/C28H46N2O2Si/c1-5-7-8-9-10-14-21-32-28-29-23-26(24-30-28)25-16-18-27(19-17-25)31-20-13-11-12-15-22-33(3,4)6-2/h16-19,23-24H,5-15,20-22H2,1-4H3
InChIKeyINUYXDXRWYHAJY-UHFFFAOYSA-N
XLogP8.55
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.77
LogP ≤ 58.55
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(trimethylsilylmethyl)silyl]methyl-[11-[5-(4-hexoxyphenyl)pyrimidin-2-yl]oxyundecyl]-dimethylsilane
CID 102334406
[dimethyl-[11-[5-(4-octoxyphenyl)pyrimidin-2-yl]oxyundecyl]silyl]methyl-dimethyl-(trimethylsilylmethyl)silane
CID 102334408
5-[4-(7-methyloctoxy)phenyl]-2-nonoxypyrimidine
CID 67864487
ethyl-dimethyl-[11-[4-(5-octylpyrimidin-2-yl)phenoxy]undecyl]silane
CID 14744865
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
11-[4-[2-[(2R,3S)-2,3-difluorohexoxy]pyrimidin-5-yl]phenoxy]undecyl-[[dimethyl(trimethylsilylmethyl)silyl]methyl]-dimethylsilane
CID 122231220
[4-[11-[ethyl(dimethyl)silyl]undecoxy]phenyl] 4-octoxybenzoate
CID 14744873
5-[4-(2-butoxy-3,3,3-trifluoropropoxy)phenyl]-2-nonoxypyrimidine
CID 22913395

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-[6-[4-(2-octoxypyrimidin-5-yl)phenoxy]hexyl]silane?
The IUPAC name of ethyl-dimethyl-[6-[4-(2-octoxypyrimidin-5-yl)phenoxy]hexyl]silane (CID 18964605) is ethyl-dimethyl-[6-[4-(2-octoxypyrimidin-5-yl)phenoxy]hexyl]silane.
What is the SMILES notation for ethyl-dimethyl-[6-[4-(2-octoxypyrimidin-5-yl)phenoxy]hexyl]silane?
The canonical SMILES for ethyl-dimethyl-[6-[4-(2-octoxypyrimidin-5-yl)phenoxy]hexyl]silane is CCCCCCCCOc1ncc(-c2ccc(OCCCCCC[Si](C)(C)CC)cc2)cn1.
What is the InChIKey of ethyl-dimethyl-[6-[4-(2-octoxypyrimidin-5-yl)phenoxy]hexyl]silane?
The InChIKey is INUYXDXRWYHAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46N2O2Si/c1-5-7-8-9-10-14-21-32-28-29-23-26(24-30-28)25-16-18-27(19-17-25)31-20-13-11-12-15-22-33(3,4)6-2/h16-19,23-24H,5-15,20-22H2,1-4H3.
What are the key properties of ethyl-dimethyl-[6-[4-(2-octoxypyrimidin-5-yl)phenoxy]hexyl]silane?
ethyl-dimethyl-[6-[4-(2-octoxypyrimidin-5-yl)phenoxy]hexyl]silane has a molecular weight of 470.77 g/mol, XLogP of 8.55, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-[6-[4-(2-octoxypyrimidin-5-yl)phenoxy]hexyl]silane is sourced from PubChem (CID 18964605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).