tris(3,7-dimethylocta-2,6-dienoxy)methylsilane

C31H54O3Si — CID 3017007

IUPACtris(3,7-dimethylocta-2,6-dienoxy)methylsilane
SMILESCC(C)=CCCC(C)=CCOC([SiH3])(OCC=C(C)CCC=C(C)C)OCC=C(C)CCC=C(C)C
InChIInChI=1S/C31H54O3Si/c1-25(2)13-10-16-28(7)19-22-32-31(35,33-23-20-29(8)17-11-14-26(3)4)34-24-21-30(9)18-12-15-27(5)6/h13-15,19-21H,10-12,16-18,22-24H2,1-9,35H3
InChIKeyGGROZWRGSRXIJC-UHFFFAOYSA-N
MW502.86 g/mol
LogP8.09
Rot. Bonds18

About tris(3,7-dimethylocta-2,6-dienoxy)methylsilane

tris(3,7-dimethylocta-2,6-dienoxy)methylsilane (PubChem CID 3017007) has the molecular formula C31H54O3Si and a molecular weight of 502.86 g/mol. Its IUPAC name is tris(3,7-dimethylocta-2,6-dienoxy)methylsilane.

Molecular Properties

Compound Nametris(3,7-dimethylocta-2,6-dienoxy)methylsilane
PubChem CID3017007
Molecular FormulaC31H54O3Si
Molecular Weight502.86 g/mol
Exact Mass502.38
IUPAC Nametris(3,7-dimethylocta-2,6-dienoxy)methylsilane
SMILESCC(C)=CCCC(C)=CCOC([SiH3])(OCC=C(C)CCC=C(C)C)OCC=C(C)CCC=C(C)C
InChIInChI=1S/C31H54O3Si/c1-25(2)13-10-16-28(7)19-22-32-31(35,33-23-20-29(8)17-11-14-26(3)4)34-24-21-30(9)18-12-15-27(5)6/h13-15,19-21H,10-12,16-18,22-24H2,1-9,35H3
InChIKeyGGROZWRGSRXIJC-UHFFFAOYSA-N
XLogP8.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.86
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1,1-bis(3,7-dimethylocta-2,6-dienoxy)ethoxy]-3,7-dimethylocta-2,6-diene
CID 54055377
(2E)-1-(2-methoxypropan-2-yloxy)-3,7-dimethylocta-2,6-diene
CID 10082427
1-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene
CID 76549407
1-(methoxymethoxy)-3,7-dimethylocta-2,6-diene
CID 3018010
bis[(2Z)-3,7-dimethylocta-2,6-dienyl] [(2E)-3,7-dimethylocta-2,6-dienyl] borate
CID 6436996
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
3,7,11-trimethyldodeca-2,6,10-trienoxymethanol
CID 173478394
bis[(2Z)-3,7-dimethylocta-2,6-dienyl] butanedioate
CID 57495010
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl acetate
CID 78421842

Frequently Asked Questions

What is the IUPAC name of tris(3,7-dimethylocta-2,6-dienoxy)methylsilane?
The IUPAC name of tris(3,7-dimethylocta-2,6-dienoxy)methylsilane (CID 3017007) is tris(3,7-dimethylocta-2,6-dienoxy)methylsilane.
What is the SMILES notation for tris(3,7-dimethylocta-2,6-dienoxy)methylsilane?
The canonical SMILES for tris(3,7-dimethylocta-2,6-dienoxy)methylsilane is CC(C)=CCCC(C)=CCOC([SiH3])(OCC=C(C)CCC=C(C)C)OCC=C(C)CCC=C(C)C.
What is the InChIKey of tris(3,7-dimethylocta-2,6-dienoxy)methylsilane?
The InChIKey is GGROZWRGSRXIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H54O3Si/c1-25(2)13-10-16-28(7)19-22-32-31(35,33-23-20-29(8)17-11-14-26(3)4)34-24-21-30(9)18-12-15-27(5)6/h13-15,19-21H,10-12,16-18,22-24H2,1-9,35H3.
What are the key properties of tris(3,7-dimethylocta-2,6-dienoxy)methylsilane?
tris(3,7-dimethylocta-2,6-dienoxy)methylsilane has a molecular weight of 502.86 g/mol, XLogP of 8.09, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3,7-dimethylocta-2,6-dienoxy)methylsilane is sourced from PubChem (CID 3017007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).