11-[4-[[2,4-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methyl]-3-methylphenoxy]undecoxy-tri(propan-2-yl)silane;yttrium

C74H139O6Si3Y- — CID 158803684

IUPAC11-[4-[[2,4-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methyl]-3-methylphenoxy]undecoxy-tri(propan-2-yl)silane;yttrium
SMILESCc1cc(OCCCCCCCCCCCO[Si](C(C)C)(C(C)C)C(C)C)ccc1[CH-]c1ccc(OCCCCCCCCCCCO[Si](C(C)C)(C(C)C)C(C)C)cc1OCCCCCCCCCCCO[Si](C(C)C)(C(C)C)C(C)C.[Y]
InChIInChI=1S/C74H139O6Si3.Y/c1-60(2)81(61(3)4,62(5)6)78-54-44-38-32-26-20-23-29-35-41-51-75-72-49-47-70(69(19)57-72)58-71-48-50-73(76-52-42-36-30-24-21-27-33-39-45-55-79-82(63(7)8,64(9)10)65(11)12)59-74(71)77-53-43-37-31-25-22-28-34-40-46-56-80-83(66(13)14,67(15)16)68(17)18;/h47-50,57-68H,20-46,51-56H2,1-19H3;/q-1;
InChIKeyOJRWCKGSXFYEIH-UHFFFAOYSA-N
MW1298.08 g/mol
LogP24.84
Rot. Bonds53

About 11-[4-[[2,4-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methyl]-3-methylphenoxy]undecoxy-tri(propan-2-yl)silane;yttrium

11-[4-[[2,4-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methyl]-3-methylphenoxy]undecoxy-tri(propan-2-yl)silane;yttrium (PubChem CID 158803684) has the molecular formula C74H139O6Si3Y- and a molecular weight of 1298.08 g/mol. Its IUPAC name is 11-[4-[[2,4-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methyl]-3-methylphenoxy]undecoxy-tri(propan-2-yl)silane;yttrium.

Molecular Properties

Compound Name11-[4-[[2,4-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methyl]-3-methylphenoxy]undecoxy-tri(propan-2-yl)silane;yttrium
PubChem CID158803684
Molecular FormulaC74H139O6Si3Y-
Molecular Weight1298.08 g/mol
Exact Mass1296.89
IUPAC Name11-[4-[[2,4-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methyl]-3-methylphenoxy]undecoxy-tri(propan-2-yl)silane;yttrium
SMILESCc1cc(OCCCCCCCCCCCO[Si](C(C)C)(C(C)C)C(C)C)ccc1[CH-]c1ccc(OCCCCCCCCCCCO[Si](C(C)C)(C(C)C)C(C)C)cc1OCCCCCCCCCCCO[Si](C(C)C)(C(C)C)C(C)C.[Y]
InChIInChI=1S/C74H139O6Si3.Y/c1-60(2)81(61(3)4,62(5)6)78-54-44-38-32-26-20-23-29-35-41-51-75-72-49-47-70(69(19)57-72)58-71-48-50-73(76-52-42-36-30-24-21-27-33-39-45-55-79-82(63(7)8,64(9)10)65(11)12)59-74(71)77-53-43-37-31-25-22-28-34-40-46-56-80-83(66(13)14,67(15)16)68(17)18;/h47-50,57-68H,20-46,51-56H2,1-19H3;/q-1;
InChIKeyOJRWCKGSXFYEIH-UHFFFAOYSA-N
XLogP24.84
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds53
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001298.08
LogP ≤ 524.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 11-[4-[[2,4-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methyl]-3-methylphenoxy]undecoxy-tri(propan-2-yl)silane;yttrium with MolForge

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Related Compounds

[2-dodecoxy-4-[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methanol
CID 159571460
11-[3-[[3,5-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]-(2-methylphenyl)methyl]-5-[11-tri(propan-2-yl)silyloxyundecoxy]phenoxy]undecoxy-tri(propan-2-yl)silane
CID 161197290
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
6-chlorohexoxy-tri(propan-2-yl)silane
CID 89400729
4-[10-(2-aminophenoxy)decoxy]-2-methylaniline
CID 146356223
2-methyl-4-(4-methylpentoxy)aniline
CID 43436417
1,5-dihexoxy-2,3-dimethylbenzene
CID 23531654
1-chloro-4-(5-chloropentoxy)-2-methylbenzene
CID 43168547
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
[2-methyl-4-(4-methylpentoxy)phenyl]methanamine
CID 81279223
2,4-bis(2-fluoroethoxy)-1-methylbenzene
CID 15058706
2-fluoro-1-methyl-4-(4-methylpentoxy)benzene
CID 107171422

Frequently Asked Questions

What is the IUPAC name of 11-[4-[[2,4-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methyl]-3-methylphenoxy]undecoxy-tri(propan-2-yl)silane;yttrium?
The IUPAC name of 11-[4-[[2,4-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methyl]-3-methylphenoxy]undecoxy-tri(propan-2-yl)silane;yttrium (CID 158803684) is 11-[4-[[2,4-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methyl]-3-methylphenoxy]undecoxy-tri(propan-2-yl)silane;yttrium.
What is the SMILES notation for 11-[4-[[2,4-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methyl]-3-methylphenoxy]undecoxy-tri(propan-2-yl)silane;yttrium?
The canonical SMILES for 11-[4-[[2,4-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methyl]-3-methylphenoxy]undecoxy-tri(propan-2-yl)silane;yttrium is Cc1cc(OCCCCCCCCCCCO[Si](C(C)C)(C(C)C)C(C)C)ccc1[CH-]c1ccc(OCCCCCCCCCCCO[Si](C(C)C)(C(C)C)C(C)C)cc1OCCCCCCCCCCCO[Si](C(C)C)(C(C)C)C(C)C.[Y].
What is the InChIKey of 11-[4-[[2,4-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methyl]-3-methylphenoxy]undecoxy-tri(propan-2-yl)silane;yttrium?
The InChIKey is OJRWCKGSXFYEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H139O6Si3.Y/c1-60(2)81(61(3)4,62(5)6)78-54-44-38-32-26-20-23-29-35-41-51-75-72-49-47-70(69(19)57-72)58-71-48-50-73(76-52-42-36-30-24-21-27-33-39-45-55-79-82(63(7)8,64(9)10)65(11)12)59-74(71)77-53-43-37-31-25-22-28-34-40-46-56-80-83(66(13)14,67(15)16)68(17)18;/h47-50,57-68H,20-46,51-56H2,1-19H3;/q-1;.
What are the key properties of 11-[4-[[2,4-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methyl]-3-methylphenoxy]undecoxy-tri(propan-2-yl)silane;yttrium?
11-[4-[[2,4-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methyl]-3-methylphenoxy]undecoxy-tri(propan-2-yl)silane;yttrium has a molecular weight of 1298.08 g/mol, XLogP of 24.84, 53 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[[2,4-bis[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methyl]-3-methylphenoxy]undecoxy-tri(propan-2-yl)silane;yttrium is sourced from PubChem (CID 158803684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).