tris(2,6-dimethylheptan-4-yloxy)-(2-methoxyphenyl)silane

C34H64O4Si — CID 167440323

IUPACtris(2,6-dimethylheptan-4-yloxy)-(2-methoxyphenyl)silane
SMILESCOc1ccccc1[Si](OC(CC(C)C)CC(C)C)(OC(CC(C)C)CC(C)C)OC(CC(C)C)CC(C)C
InChIInChI=1S/C34H64O4Si/c1-24(2)18-30(19-25(3)4)36-39(34-17-15-14-16-33(34)35-13,37-31(20-26(5)6)21-27(7)8)38-32(22-28(9)10)23-29(11)12/h14-17,24-32H,18-23H2,1-13H3
InChIKeyJHDIKNZOPIDSOB-UHFFFAOYSA-N
MW564.97 g/mol
LogP9.27
Rot. Bonds20

About tris(2,6-dimethylheptan-4-yloxy)-(2-methoxyphenyl)silane

tris(2,6-dimethylheptan-4-yloxy)-(2-methoxyphenyl)silane (PubChem CID 167440323) has the molecular formula C34H64O4Si and a molecular weight of 564.97 g/mol. Its IUPAC name is tris(2,6-dimethylheptan-4-yloxy)-(2-methoxyphenyl)silane.

Molecular Properties

Compound Nametris(2,6-dimethylheptan-4-yloxy)-(2-methoxyphenyl)silane
PubChem CID167440323
Molecular FormulaC34H64O4Si
Molecular Weight564.97 g/mol
Exact Mass564.46
IUPAC Nametris(2,6-dimethylheptan-4-yloxy)-(2-methoxyphenyl)silane
SMILESCOc1ccccc1[Si](OC(CC(C)C)CC(C)C)(OC(CC(C)C)CC(C)C)OC(CC(C)C)CC(C)C
InChIInChI=1S/C34H64O4Si/c1-24(2)18-30(19-25(3)4)36-39(34-17-15-14-16-33(34)35-13,37-31(20-26(5)6)21-27(7)8)38-32(22-28(9)10)23-29(11)12/h14-17,24-32H,18-23H2,1-13H3
InChIKeyJHDIKNZOPIDSOB-UHFFFAOYSA-N
XLogP9.27
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.97
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

magnesium;(2-methoxyphenyl)-dimethyl-oxidosilane;chloride
CID 153323753
methyl 2-(2-methoxyphenyl)-4-methylpentanoate
CID 112508329
(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 171201173
2-amino-1-(2-methoxyphenyl)-4-methylpentan-1-one
CID 75357386
(1S)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171220710
1-(2-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61066103
1-chloro-2-[(2R)-2-methoxy-4-methylpentoxy]benzene
CID 58044467
bis(2-methoxyphenyl)-dimethylphosphanium
CID 102310602
1,2-dimethoxybenzene;dihydrochloride
CID 19834650
azane;1,2-dimethoxybenzene
CID 174437926
1-(1-ethoxyethyl)-2-methoxybenzene
CID 141024824
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678

Frequently Asked Questions

What is the IUPAC name of tris(2,6-dimethylheptan-4-yloxy)-(2-methoxyphenyl)silane?
The IUPAC name of tris(2,6-dimethylheptan-4-yloxy)-(2-methoxyphenyl)silane (CID 167440323) is tris(2,6-dimethylheptan-4-yloxy)-(2-methoxyphenyl)silane.
What is the SMILES notation for tris(2,6-dimethylheptan-4-yloxy)-(2-methoxyphenyl)silane?
The canonical SMILES for tris(2,6-dimethylheptan-4-yloxy)-(2-methoxyphenyl)silane is COc1ccccc1[Si](OC(CC(C)C)CC(C)C)(OC(CC(C)C)CC(C)C)OC(CC(C)C)CC(C)C.
What is the InChIKey of tris(2,6-dimethylheptan-4-yloxy)-(2-methoxyphenyl)silane?
The InChIKey is JHDIKNZOPIDSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H64O4Si/c1-24(2)18-30(19-25(3)4)36-39(34-17-15-14-16-33(34)35-13,37-31(20-26(5)6)21-27(7)8)38-32(22-28(9)10)23-29(11)12/h14-17,24-32H,18-23H2,1-13H3.
What are the key properties of tris(2,6-dimethylheptan-4-yloxy)-(2-methoxyphenyl)silane?
tris(2,6-dimethylheptan-4-yloxy)-(2-methoxyphenyl)silane has a molecular weight of 564.97 g/mol, XLogP of 9.27, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,6-dimethylheptan-4-yloxy)-(2-methoxyphenyl)silane is sourced from PubChem (CID 167440323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).