[hydroxy-bis(4-methylpentan-2-yloxy)silyl] tris(4-methylpentan-2-yl) silicate

C30H66O7Si2 — CID 160843506

IUPAC[hydroxy-bis(4-methylpentan-2-yloxy)silyl] tris(4-methylpentan-2-yl) silicate
SMILESCC(C)CC(C)O[Si](O)(OC(C)CC(C)C)O[Si](OC(C)CC(C)C)(OC(C)CC(C)C)OC(C)CC(C)C
InChIInChI=1S/C30H66O7Si2/c1-21(2)16-26(11)32-38(31,33-27(12)17-22(3)4)37-39(34-28(13)18-23(5)6,35-29(14)19-24(7)8)36-30(15)20-25(9)10/h21-31H,16-20H2,1-15H3
InChIKeySIIMAYRGTRVFJR-UHFFFAOYSA-N
MW595.02 g/mol
LogP8.12
Rot. Bonds22

About [hydroxy-bis(4-methylpentan-2-yloxy)silyl] tris(4-methylpentan-2-yl) silicate

[hydroxy-bis(4-methylpentan-2-yloxy)silyl] tris(4-methylpentan-2-yl) silicate (PubChem CID 160843506) has the molecular formula C30H66O7Si2 and a molecular weight of 595.02 g/mol. Its IUPAC name is [hydroxy-bis(4-methylpentan-2-yloxy)silyl] tris(4-methylpentan-2-yl) silicate.

Molecular Properties

Compound Name[hydroxy-bis(4-methylpentan-2-yloxy)silyl] tris(4-methylpentan-2-yl) silicate
PubChem CID160843506
Molecular FormulaC30H66O7Si2
Molecular Weight595.02 g/mol
Exact Mass594.43
IUPAC Name[hydroxy-bis(4-methylpentan-2-yloxy)silyl] tris(4-methylpentan-2-yl) silicate
SMILESCC(C)CC(C)O[Si](O)(OC(C)CC(C)C)O[Si](OC(C)CC(C)C)(OC(C)CC(C)C)OC(C)CC(C)C
InChIInChI=1S/C30H66O7Si2/c1-21(2)16-26(11)32-38(31,33-27(12)17-22(3)4)37-39(34-28(13)18-23(5)6,35-29(14)19-24(7)8)36-30(15)20-25(9)10/h21-31H,16-20H2,1-15H3
InChIKeySIIMAYRGTRVFJR-UHFFFAOYSA-N
XLogP8.12
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.02
LogP ≤ 58.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-bis(4-methylpentan-2-yloxy)silane
CID 91733276
chloro-[(2R)-4-methylpentan-2-yl]oxy-bis[[(2S)-4-methylpentan-2-yl]oxy]silane
CID 124630587
2-hydroperoxyperoxy-4-methylpentane
CID 88547567
bis(tri(butan-2-yloxy)-hydroxysilane);zirconium
CID 175131164
trimethyl-[(2R,4R)-4-trimethylsilyloxypentan-2-yl]oxysilane
CID 11139503
(4S)-2-methyl-4-propan-2-yloxypentane
CID 155647514
hydroxy 2-methylpropyl carbonate
CID 140981524
[(2S)-4-methylpentan-2-yl] carbonochloridate
CID 92951159
4-methylpentan-2-yloxymethanethioic S-acid
CID 56984690
ethenyl-ethoxy-methyl-(4-methylpentan-2-yloxy)silane
CID 91723235
(4R,6R)-2,8-dimethylnonane-4,6-diol
CID 15640449
2,4-dimethylpentane
CID 157050020

Frequently Asked Questions

What is the IUPAC name of [hydroxy-bis(4-methylpentan-2-yloxy)silyl] tris(4-methylpentan-2-yl) silicate?
The IUPAC name of [hydroxy-bis(4-methylpentan-2-yloxy)silyl] tris(4-methylpentan-2-yl) silicate (CID 160843506) is [hydroxy-bis(4-methylpentan-2-yloxy)silyl] tris(4-methylpentan-2-yl) silicate.
What is the SMILES notation for [hydroxy-bis(4-methylpentan-2-yloxy)silyl] tris(4-methylpentan-2-yl) silicate?
The canonical SMILES for [hydroxy-bis(4-methylpentan-2-yloxy)silyl] tris(4-methylpentan-2-yl) silicate is CC(C)CC(C)O[Si](O)(OC(C)CC(C)C)O[Si](OC(C)CC(C)C)(OC(C)CC(C)C)OC(C)CC(C)C.
What is the InChIKey of [hydroxy-bis(4-methylpentan-2-yloxy)silyl] tris(4-methylpentan-2-yl) silicate?
The InChIKey is SIIMAYRGTRVFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H66O7Si2/c1-21(2)16-26(11)32-38(31,33-27(12)17-22(3)4)37-39(34-28(13)18-23(5)6,35-29(14)19-24(7)8)36-30(15)20-25(9)10/h21-31H,16-20H2,1-15H3.
What are the key properties of [hydroxy-bis(4-methylpentan-2-yloxy)silyl] tris(4-methylpentan-2-yl) silicate?
[hydroxy-bis(4-methylpentan-2-yloxy)silyl] tris(4-methylpentan-2-yl) silicate has a molecular weight of 595.02 g/mol, XLogP of 8.12, 22 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-bis(4-methylpentan-2-yloxy)silyl] tris(4-methylpentan-2-yl) silicate is sourced from PubChem (CID 160843506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).