1-O-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl] 6-O-(2-methylpropyl) 5-ethyl-2,2,3,3,5-pentamethylhexanedioate

C30H64O6Si3 — CID 59018721

IUPAC1-O-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl] 6-O-(2-methylpropyl) 5-ethyl-2,2,3,3,5-pentamethylhexanedioate
SMILESCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(C)(C)C(C)(C)CC(C)(CC)C(=O)OCC(C)C
InChIInChI=1S/C30H64O6Si3/c1-16-18-21-37(10,11)35-39(14,15)36-38(12,13)22-19-20-33-26(31)29(7,8)28(5,6)24-30(9,17-2)27(32)34-23-25(3)4/h25H,16-24H2,1-15H3
InChIKeySFTHAPXGXFKUTF-UHFFFAOYSA-N
MW605.09 g/mol
LogP8.92
Rot. Bonds19

About 1-O-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl] 6-O-(2-methylpropyl) 5-ethyl-2,2,3,3,5-pentamethylhexanedioate

1-O-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl] 6-O-(2-methylpropyl) 5-ethyl-2,2,3,3,5-pentamethylhexanedioate (PubChem CID 59018721) has the molecular formula C30H64O6Si3 and a molecular weight of 605.09 g/mol. Its IUPAC name is 1-O-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl] 6-O-(2-methylpropyl) 5-ethyl-2,2,3,3,5-pentamethylhexanedioate.

Molecular Properties

Compound Name1-O-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl] 6-O-(2-methylpropyl) 5-ethyl-2,2,3,3,5-pentamethylhexanedioate
PubChem CID59018721
Molecular FormulaC30H64O6Si3
Molecular Weight605.09 g/mol
Exact Mass604.40
IUPAC Name1-O-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl] 6-O-(2-methylpropyl) 5-ethyl-2,2,3,3,5-pentamethylhexanedioate
SMILESCCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(C)(C)C(C)(C)CC(C)(CC)C(=O)OCC(C)C
InChIInChI=1S/C30H64O6Si3/c1-16-18-21-37(10,11)35-39(14,15)36-38(12,13)22-19-20-33-26(31)29(7,8)28(5,6)24-30(9,17-2)27(32)34-23-25(3)4/h25H,16-24H2,1-15H3
InChIKeySFTHAPXGXFKUTF-UHFFFAOYSA-N
XLogP8.92
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.09
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-O-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl] 6-O-(2-methylpropyl) 5-ethyl-2,2,3,3,5-pentamethylhexanedioate?
The IUPAC name of 1-O-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl] 6-O-(2-methylpropyl) 5-ethyl-2,2,3,3,5-pentamethylhexanedioate (CID 59018721) is 1-O-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl] 6-O-(2-methylpropyl) 5-ethyl-2,2,3,3,5-pentamethylhexanedioate.
What is the SMILES notation for 1-O-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl] 6-O-(2-methylpropyl) 5-ethyl-2,2,3,3,5-pentamethylhexanedioate?
The canonical SMILES for 1-O-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl] 6-O-(2-methylpropyl) 5-ethyl-2,2,3,3,5-pentamethylhexanedioate is CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOC(=O)C(C)(C)C(C)(C)CC(C)(CC)C(=O)OCC(C)C.
What is the InChIKey of 1-O-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl] 6-O-(2-methylpropyl) 5-ethyl-2,2,3,3,5-pentamethylhexanedioate?
The InChIKey is SFTHAPXGXFKUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64O6Si3/c1-16-18-21-37(10,11)35-39(14,15)36-38(12,13)22-19-20-33-26(31)29(7,8)28(5,6)24-30(9,17-2)27(32)34-23-25(3)4/h25H,16-24H2,1-15H3.
What are the key properties of 1-O-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl] 6-O-(2-methylpropyl) 5-ethyl-2,2,3,3,5-pentamethylhexanedioate?
1-O-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl] 6-O-(2-methylpropyl) 5-ethyl-2,2,3,3,5-pentamethylhexanedioate has a molecular weight of 605.09 g/mol, XLogP of 8.92, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl] 6-O-(2-methylpropyl) 5-ethyl-2,2,3,3,5-pentamethylhexanedioate is sourced from PubChem (CID 59018721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).