[1,1-dimethoxy-2-tri(propan-2-yl)silyloxyoctan-3-yl]oxy-tri(propan-2-yl)silane

C28H62O4Si2 — CID 174144544

IUPAC[1,1-dimethoxy-2-tri(propan-2-yl)silyloxyoctan-3-yl]oxy-tri(propan-2-yl)silane
SMILESCCCCCC(O[Si](C(C)C)(C(C)C)C(C)C)C(O[Si](C(C)C)(C(C)C)C(C)C)C(OC)OC
InChIInChI=1S/C28H62O4Si2/c1-16-17-18-19-26(31-33(20(2)3,21(4)5)22(6)7)27(28(29-14)30-15)32-34(23(8)9,24(10)11)25(12)13/h20-28H,16-19H2,1-15H3
InChIKeyBPUNBVQBLFKZOH-UHFFFAOYSA-N
MW518.97 g/mol
LogP9.31
Rot. Bonds18

About [1,1-dimethoxy-2-tri(propan-2-yl)silyloxyoctan-3-yl]oxy-tri(propan-2-yl)silane

[1,1-dimethoxy-2-tri(propan-2-yl)silyloxyoctan-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 174144544) has the molecular formula C28H62O4Si2 and a molecular weight of 518.97 g/mol. Its IUPAC name is [1,1-dimethoxy-2-tri(propan-2-yl)silyloxyoctan-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[1,1-dimethoxy-2-tri(propan-2-yl)silyloxyoctan-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID174144544
Molecular FormulaC28H62O4Si2
Molecular Weight518.97 g/mol
Exact Mass518.42
IUPAC Name[1,1-dimethoxy-2-tri(propan-2-yl)silyloxyoctan-3-yl]oxy-tri(propan-2-yl)silane
SMILESCCCCCC(O[Si](C(C)C)(C(C)C)C(C)C)C(O[Si](C(C)C)(C(C)C)C(C)C)C(OC)OC
InChIInChI=1S/C28H62O4Si2/c1-16-17-18-19-26(31-33(20(2)3,21(4)5)22(6)7)27(28(29-14)30-15)32-34(23(8)9,24(10)11)25(12)13/h20-28H,16-19H2,1-15H3
InChIKeyBPUNBVQBLFKZOH-UHFFFAOYSA-N
XLogP9.31
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.97
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

oct-1-yn-3-yloxy-tri(propan-2-yl)silane
CID 10869775
2-methyl-3-(2-methyloctadecan-3-yloxy)octadecane
CID 19369989
1-bromonon-1-yn-3-yloxy-tri(propan-2-yl)silane
CID 71662309
(3R)-3-tri(propan-2-yl)silyloxyhexadecanal
CID 16741866
2-methoxynonane-1,1-diol
CID 175114695
1,1-dimethoxyheptan-2-amine
CID 79492627
2-ethoxy-3-methoxynonane
CID 175129428
tert-butyl-dimethyl-[(Z,1S,2S)-1-pentyl-3-trimethylsilyl-2-tri(propan-2-yl)silyloxyoct-3-enoxy]silane
CID 101415913
1-fluoro-3,4-dimethoxypentadecane
CID 174316150
2-chloro-1,1-dimethoxynonane
CID 14619929
2-(1-methoxyethoxy)dodecane
CID 121368896
3-ethoxy-2-methyldodecane
CID 78302637

Frequently Asked Questions

What is the IUPAC name of [1,1-dimethoxy-2-tri(propan-2-yl)silyloxyoctan-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [1,1-dimethoxy-2-tri(propan-2-yl)silyloxyoctan-3-yl]oxy-tri(propan-2-yl)silane (CID 174144544) is [1,1-dimethoxy-2-tri(propan-2-yl)silyloxyoctan-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [1,1-dimethoxy-2-tri(propan-2-yl)silyloxyoctan-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [1,1-dimethoxy-2-tri(propan-2-yl)silyloxyoctan-3-yl]oxy-tri(propan-2-yl)silane is CCCCCC(O[Si](C(C)C)(C(C)C)C(C)C)C(O[Si](C(C)C)(C(C)C)C(C)C)C(OC)OC.
What is the InChIKey of [1,1-dimethoxy-2-tri(propan-2-yl)silyloxyoctan-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is BPUNBVQBLFKZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H62O4Si2/c1-16-17-18-19-26(31-33(20(2)3,21(4)5)22(6)7)27(28(29-14)30-15)32-34(23(8)9,24(10)11)25(12)13/h20-28H,16-19H2,1-15H3.
What are the key properties of [1,1-dimethoxy-2-tri(propan-2-yl)silyloxyoctan-3-yl]oxy-tri(propan-2-yl)silane?
[1,1-dimethoxy-2-tri(propan-2-yl)silyloxyoctan-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 518.97 g/mol, XLogP of 9.31, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1-dimethoxy-2-tri(propan-2-yl)silyloxyoctan-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 174144544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).