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

C27H58O3Si — CID 175859767

IUPACtris(2,6-dimethylheptan-4-yloxy)silane
SMILESCC(C)CC(CC(C)C)O[SiH](OC(CC(C)C)CC(C)C)OC(CC(C)C)CC(C)C
InChIInChI=1S/C27H58O3Si/c1-19(2)13-25(14-20(3)4)28-31(29-26(15-21(5)6)16-22(7)8)30-27(17-23(9)10)18-24(11)12/h19-27,31H,13-18H2,1-12H3
InChIKeyVCYCOXXSVRXCDN-UHFFFAOYSA-N
MW458.84 g/mol
LogP8.14
Rot. Bonds18

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

tris(2,6-dimethylheptan-4-yloxy)silane (PubChem CID 175859767) has the molecular formula C27H58O3Si and a molecular weight of 458.84 g/mol. Its IUPAC name is tris(2,6-dimethylheptan-4-yloxy)silane.

Molecular Properties

Compound Nametris(2,6-dimethylheptan-4-yloxy)silane
PubChem CID175859767
Molecular FormulaC27H58O3Si
Molecular Weight458.84 g/mol
Exact Mass458.42
IUPAC Nametris(2,6-dimethylheptan-4-yloxy)silane
SMILESCC(C)CC(CC(C)C)O[SiH](OC(CC(C)C)CC(C)C)OC(CC(C)C)CC(C)C
InChIInChI=1S/C27H58O3Si/c1-19(2)13-25(14-20(3)4)28-31(29-26(15-21(5)6)16-22(7)8)30-27(17-23(9)10)18-24(11)12/h19-27,31H,13-18H2,1-12H3
InChIKeyVCYCOXXSVRXCDN-UHFFFAOYSA-N
XLogP8.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.84
LogP ≤ 58.14
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-(2,6-dimethylheptan-4-yloxy)-2,6-dimethylheptane
CID 18359494
CID 167440331
CID 167440331
2,4-dimethylpentane
CID 157050020
O-(5-methylhexan-3-yl)hydroxylamine
CID 174294741
O-(1-amino-4-methylpentan-2-yl)hydroxylamine
CID 118970501
2-methyl-4-(2-methylheptan-4-yloxy)heptane
CID 22758032
2,4-dimethylpentane;methane
CID 159476318
2,6-dimethylheptan-4-yl hydrogen carbonate
CID 154411359
N-(2,6-dimethylheptan-4-yloxy)-N-oxidomethanamine
CID 163968768
bis(2,6-dimethylheptan-4-yl) propanedioate
CID 174999173
2-methyl-4-[(2-methylpropan-2-yl)oxy]hexane
CID 91528197
4-methyl-N,N-bis(4-methyl-2-phosphanyloxypentyl)-2-phosphanyloxypentan-1-amine
CID 151635571

Frequently Asked Questions

What is the IUPAC name of tris(2,6-dimethylheptan-4-yloxy)silane?
The IUPAC name of tris(2,6-dimethylheptan-4-yloxy)silane (CID 175859767) is tris(2,6-dimethylheptan-4-yloxy)silane.
What is the SMILES notation for tris(2,6-dimethylheptan-4-yloxy)silane?
The canonical SMILES for tris(2,6-dimethylheptan-4-yloxy)silane is CC(C)CC(CC(C)C)O[SiH](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)silane?
The InChIKey is VCYCOXXSVRXCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58O3Si/c1-19(2)13-25(14-20(3)4)28-31(29-26(15-21(5)6)16-22(7)8)30-27(17-23(9)10)18-24(11)12/h19-27,31H,13-18H2,1-12H3.
What are the key properties of tris(2,6-dimethylheptan-4-yloxy)silane?
tris(2,6-dimethylheptan-4-yloxy)silane has a molecular weight of 458.84 g/mol, XLogP of 8.14, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,6-dimethylheptan-4-yloxy)silane is sourced from PubChem (CID 175859767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).