bis[[2,6-dimethyl-4-(2-methylpropyl)heptan-4-yl]oxy]-oxosilane

C26H54O3Si — CID 139950714

IUPACbis[[2,6-dimethyl-4-(2-methylpropyl)heptan-4-yl]oxy]-oxosilane
SMILESCC(C)CC(CC(C)C)(CC(C)C)O[Si](=O)OC(CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C26H54O3Si/c1-19(2)13-25(14-20(3)4,15-21(5)6)28-30(27)29-26(16-22(7)8,17-23(9)10)18-24(11)12/h19-24H,13-18H2,1-12H3
InChIKeyXHTDDWFRVBVLBY-UHFFFAOYSA-N
MW442.80 g/mol
LogP8.19
Rot. Bonds16

About bis[[2,6-dimethyl-4-(2-methylpropyl)heptan-4-yl]oxy]-oxosilane

bis[[2,6-dimethyl-4-(2-methylpropyl)heptan-4-yl]oxy]-oxosilane (PubChem CID 139950714) has the molecular formula C26H54O3Si and a molecular weight of 442.80 g/mol. Its IUPAC name is bis[[2,6-dimethyl-4-(2-methylpropyl)heptan-4-yl]oxy]-oxosilane.

Molecular Properties

Compound Namebis[[2,6-dimethyl-4-(2-methylpropyl)heptan-4-yl]oxy]-oxosilane
PubChem CID139950714
Molecular FormulaC26H54O3Si
Molecular Weight442.80 g/mol
Exact Mass442.38
IUPAC Namebis[[2,6-dimethyl-4-(2-methylpropyl)heptan-4-yl]oxy]-oxosilane
SMILESCC(C)CC(CC(C)C)(CC(C)C)O[Si](=O)OC(CC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C26H54O3Si/c1-19(2)13-25(14-20(3)4,15-21(5)6)28-30(27)29-26(16-22(7)8,17-23(9)10)18-24(11)12/h19-24H,13-18H2,1-12H3
InChIKeyXHTDDWFRVBVLBY-UHFFFAOYSA-N
XLogP8.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.80
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-4-methoxy-2,6-dimethylheptane
CID 141423209
4-tert-butyl-2,4,6-trimethylheptane
CID 57493093
(2,6-dimethyl-4-propylheptan-4-yl)oxysilane
CID 123437790
2-hydroperoxy-4-methylpentan-2-ol
CID 71403979
4-butoxy-4-(2-butoxyethyl)-2,6-dimethylheptane
CID 174656248
bis(2,6-dimethyl-4,4-bis(2-methylpropyl)heptane);methane
CID 159457084
2,4,4,6-tetramethyl-3-propan-2-ylheptane
CID 57492978
3,3-difluoro-2,2,5-trimethylhexane
CID 90268421
3-[4-(aminomethyl)-2,6-dimethylheptan-4-yl]oxybutan-2-ol
CID 103377208
diethyl 3,3-bis(2-methylpropyl)pentanedioate
CID 18618080
4-[(2-ethyl-2,4-dimethylpentoxy)methyl]-2,4-dimethylhexane
CID 88745272
bis(2,4-dimethylpentan-2-yl) carbonate
CID 87132187

Frequently Asked Questions

What is the IUPAC name of bis[[2,6-dimethyl-4-(2-methylpropyl)heptan-4-yl]oxy]-oxosilane?
The IUPAC name of bis[[2,6-dimethyl-4-(2-methylpropyl)heptan-4-yl]oxy]-oxosilane (CID 139950714) is bis[[2,6-dimethyl-4-(2-methylpropyl)heptan-4-yl]oxy]-oxosilane.
What is the SMILES notation for bis[[2,6-dimethyl-4-(2-methylpropyl)heptan-4-yl]oxy]-oxosilane?
The canonical SMILES for bis[[2,6-dimethyl-4-(2-methylpropyl)heptan-4-yl]oxy]-oxosilane is CC(C)CC(CC(C)C)(CC(C)C)O[Si](=O)OC(CC(C)C)(CC(C)C)CC(C)C.
What is the InChIKey of bis[[2,6-dimethyl-4-(2-methylpropyl)heptan-4-yl]oxy]-oxosilane?
The InChIKey is XHTDDWFRVBVLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O3Si/c1-19(2)13-25(14-20(3)4,15-21(5)6)28-30(27)29-26(16-22(7)8,17-23(9)10)18-24(11)12/h19-24H,13-18H2,1-12H3.
What are the key properties of bis[[2,6-dimethyl-4-(2-methylpropyl)heptan-4-yl]oxy]-oxosilane?
bis[[2,6-dimethyl-4-(2-methylpropyl)heptan-4-yl]oxy]-oxosilane has a molecular weight of 442.80 g/mol, XLogP of 8.19, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[2,6-dimethyl-4-(2-methylpropyl)heptan-4-yl]oxy]-oxosilane is sourced from PubChem (CID 139950714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).