1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol

C24H58O3Si4 — CID 158098003

IUPAC1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCC(C)(O)CCC[Si](C)(C)O[Si](C)(C)CCCC
InChIInChI=1S/C24H58O3Si4/c1-12-14-20-28(4,5)26-30(8,9)22-16-18-24(3,25)19-17-23-31(10,11)27-29(6,7)21-15-13-2/h25H,12-23H2,1-11H3
InChIKeyPVPLVGPDPJAMMA-UHFFFAOYSA-N
MW507.07 g/mol
LogP8.75
Rot. Bonds18

About 1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol

1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol (PubChem CID 158098003) has the molecular formula C24H58O3Si4 and a molecular weight of 507.07 g/mol. Its IUPAC name is 1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol.

Molecular Properties

Compound Name1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol
PubChem CID158098003
Molecular FormulaC24H58O3Si4
Molecular Weight507.07 g/mol
Exact Mass506.35
IUPAC Name1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol
SMILESCCCC[Si](C)(C)O[Si](C)(C)CCCC(C)(O)CCC[Si](C)(C)O[Si](C)(C)CCCC
InChIInChI=1S/C24H58O3Si4/c1-12-14-20-28(4,5)26-30(8,9)22-16-18-24(3,25)19-17-23-31(10,11)27-29(6,7)21-15-13-2/h25H,12-23H2,1-11H3
InChIKeyPVPLVGPDPJAMMA-UHFFFAOYSA-N
XLogP8.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.07
LogP ≤ 58.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane
CID 20565068
1-[3-Tris(trimethylsilyloxy)silylpropyl]cyclohexan-1-ol
CID 66676761
4-Methyloct-1-yn-4-ol;triethyl(triethylsilyloxy)silane
CID 88799774
[(3R,4R)-4-[dimethyl(2-trimethylsilyloxybutan-2-yl)silyl]oxy-3,4-dimethylhexan-3-yl]-ethyl-methyl-[(2S)-2-trimethylsilylbutan-2-yl]oxysilane
CID 89839413
Dimethyl-[1,1,2-triethyl-2-[(1-ethyl-1-trimethylsilylbutoxy)-methyl-octylsilyl]butoxy]-(3-trimethylsilyloxypentan-3-yl)silane
CID 123149141
Dimethyl-[1,1,2-triethyl-2-[(1-ethyl-1-trimethylsilylbutoxy)-methyl-octylsilyl]butoxy]-(3-trimethylsilyloxyhexan-3-yl)silane
CID 123155642
Dimethyl-[1,1,2-triethyl-2-[(1-ethyl-1-trimethylsilylpropoxy)-dimethylsilyl]butoxy]-(3-trimethylsilyloxypentan-3-yl)silane
CID 123321788
Dimethyl-[1,1,2-triethyl-2-[methyl-octyl-(2-trimethylsilylbutan-2-yloxy)silyl]butoxy]-(3-trimethylsilyloxypentan-3-yl)silane
CID 123493770
1-[Tert-butyl(dimethyl)silyl]oxy-4-propylhept-2-yn-4-ol
CID 123523351
[3,4-Diethyl-4-[hydroxy(dimethyl)silyl]hexan-3-yl]oxy-ethyl-(1-ethyl-1-trimethylsilyloxypropyl)-methylsilane
CID 123715990
1-[[Butyl(dimethyl)silyl]oxy-dimethylsilyl]-7-[[dimethyl(propyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol
CID 155771696
[1,7-Bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-yl]oxy-[butyl(dimethyl)silyl]oxy-dimethylsilane
CID 155771706

Frequently Asked Questions

What is the IUPAC name of 1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol?
The IUPAC name of 1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol (CID 158098003) is 1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol.
What is the SMILES notation for 1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol?
The canonical SMILES for 1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol is CCCC[Si](C)(C)O[Si](C)(C)CCCC(C)(O)CCC[Si](C)(C)O[Si](C)(C)CCCC.
What is the InChIKey of 1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol?
The InChIKey is PVPLVGPDPJAMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H58O3Si4/c1-12-14-20-28(4,5)26-30(8,9)22-16-18-24(3,25)19-17-23-31(10,11)27-29(6,7)21-15-13-2/h25H,12-23H2,1-11H3.
What are the key properties of 1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol?
1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol has a molecular weight of 507.07 g/mol, XLogP of 8.75, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-bis[[butyl(dimethyl)silyl]oxy-dimethylsilyl]-4-methylheptan-4-ol is sourced from PubChem (CID 158098003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).