dimethyl-[8-[4-(5-octylpyrimidin-2-yl)phenoxy]octyl]-(trimethylsilylmethyl)silane

C32H56N2OSi2 — CID 22677041

IUPACdimethyl-[8-[4-(5-octylpyrimidin-2-yl)phenoxy]octyl]-(trimethylsilylmethyl)silane
SMILESCCCCCCCCc1cnc(-c2ccc(OCCCCCCCC[Si](C)(C)C[Si](C)(C)C)cc2)nc1
InChIInChI=1S/C32H56N2OSi2/c1-7-8-9-10-13-16-19-29-26-33-32(34-27-29)30-20-22-31(23-21-30)35-24-17-14-11-12-15-18-25-37(5,6)28-36(2,3)4/h20-23,26-27H,7-19,24-25,28H2,1-6H3
InChIKeyIUXNYHYMTCQUDH-UHFFFAOYSA-N
MW540.99 g/mol
LogP10.35
Rot. Bonds20

About dimethyl-[8-[4-(5-octylpyrimidin-2-yl)phenoxy]octyl]-(trimethylsilylmethyl)silane

dimethyl-[8-[4-(5-octylpyrimidin-2-yl)phenoxy]octyl]-(trimethylsilylmethyl)silane (PubChem CID 22677041) has the molecular formula C32H56N2OSi2 and a molecular weight of 540.99 g/mol. Its IUPAC name is dimethyl-[8-[4-(5-octylpyrimidin-2-yl)phenoxy]octyl]-(trimethylsilylmethyl)silane.

Molecular Properties

Compound Namedimethyl-[8-[4-(5-octylpyrimidin-2-yl)phenoxy]octyl]-(trimethylsilylmethyl)silane
PubChem CID22677041
Molecular FormulaC32H56N2OSi2
Molecular Weight540.99 g/mol
Exact Mass540.39
IUPAC Namedimethyl-[8-[4-(5-octylpyrimidin-2-yl)phenoxy]octyl]-(trimethylsilylmethyl)silane
SMILESCCCCCCCCc1cnc(-c2ccc(OCCCCCCCC[Si](C)(C)C[Si](C)(C)C)cc2)nc1
InChIInChI=1S/C32H56N2OSi2/c1-7-8-9-10-13-16-19-29-26-33-32(34-27-29)30-20-22-31(23-21-30)35-24-17-14-11-12-15-18-25-37(5,6)28-36(2,3)4/h20-23,26-27H,7-19,24-25,28H2,1-6H3
InChIKeyIUXNYHYMTCQUDH-UHFFFAOYSA-N
XLogP10.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.99
LogP ≤ 510.35
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'}

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Related Compounds

ethyl-dimethyl-[11-[4-(5-octylpyrimidin-2-yl)phenoxy]undecyl]silane
CID 14744865
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 dimethyl-[8-[4-(5-octylpyrimidin-2-yl)phenoxy]octyl]-(trimethylsilylmethyl)silane?
The IUPAC name of dimethyl-[8-[4-(5-octylpyrimidin-2-yl)phenoxy]octyl]-(trimethylsilylmethyl)silane (CID 22677041) is dimethyl-[8-[4-(5-octylpyrimidin-2-yl)phenoxy]octyl]-(trimethylsilylmethyl)silane.
What is the SMILES notation for dimethyl-[8-[4-(5-octylpyrimidin-2-yl)phenoxy]octyl]-(trimethylsilylmethyl)silane?
The canonical SMILES for dimethyl-[8-[4-(5-octylpyrimidin-2-yl)phenoxy]octyl]-(trimethylsilylmethyl)silane is CCCCCCCCc1cnc(-c2ccc(OCCCCCCCC[Si](C)(C)C[Si](C)(C)C)cc2)nc1.
What is the InChIKey of dimethyl-[8-[4-(5-octylpyrimidin-2-yl)phenoxy]octyl]-(trimethylsilylmethyl)silane?
The InChIKey is IUXNYHYMTCQUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56N2OSi2/c1-7-8-9-10-13-16-19-29-26-33-32(34-27-29)30-20-22-31(23-21-30)35-24-17-14-11-12-15-18-25-37(5,6)28-36(2,3)4/h20-23,26-27H,7-19,24-25,28H2,1-6H3.
What are the key properties of dimethyl-[8-[4-(5-octylpyrimidin-2-yl)phenoxy]octyl]-(trimethylsilylmethyl)silane?
dimethyl-[8-[4-(5-octylpyrimidin-2-yl)phenoxy]octyl]-(trimethylsilylmethyl)silane has a molecular weight of 540.99 g/mol, XLogP of 10.35, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[8-[4-(5-octylpyrimidin-2-yl)phenoxy]octyl]-(trimethylsilylmethyl)silane is sourced from PubChem (CID 22677041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).