[2-[2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoyl]oxy-3-prop-2-enoxypropyl] 2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoate

C34H72O7Si4 — CID 90381810

IUPAC[2-[2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoyl]oxy-3-prop-2-enoxypropyl] 2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoate
SMILESC=CCOCC(COC(=O)C(C)(CC)[Si](C)(C)OC(C)(CC)[Si](C)(C)C)OC(=O)C(C)(CC)[Si](C)(C)OC(C)(CC)[Si](C)(C)C
InChIInChI=1S/C34H72O7Si4/c1-20-25-37-26-28(39-30(36)32(7,22-3)45(18,19)41-34(9,24-5)43(13,14)15)27-38-29(35)31(6,21-2)44(16,17)40-33(8,23-4)42(10,11)12/h20,28H,1,21-27H2,2-19H3
InChIKeyUQWSFAKFGGLMCB-UHFFFAOYSA-N
MW705.29 g/mol
LogP9.52
Rot. Bonds21

About [2-[2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoyl]oxy-3-prop-2-enoxypropyl] 2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoate

[2-[2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoyl]oxy-3-prop-2-enoxypropyl] 2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoate (PubChem CID 90381810) has the molecular formula C34H72O7Si4 and a molecular weight of 705.29 g/mol. Its IUPAC name is [2-[2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoyl]oxy-3-prop-2-enoxypropyl] 2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoate.

Molecular Properties

Compound Name[2-[2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoyl]oxy-3-prop-2-enoxypropyl] 2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoate
PubChem CID90381810
Molecular FormulaC34H72O7Si4
Molecular Weight705.29 g/mol
Exact Mass704.44
IUPAC Name[2-[2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoyl]oxy-3-prop-2-enoxypropyl] 2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoate
SMILESC=CCOCC(COC(=O)C(C)(CC)[Si](C)(C)OC(C)(CC)[Si](C)(C)C)OC(=O)C(C)(CC)[Si](C)(C)OC(C)(CC)[Si](C)(C)C
InChIInChI=1S/C34H72O7Si4/c1-20-25-37-26-28(39-30(36)32(7,22-3)45(18,19)41-34(9,24-5)43(13,14)15)27-38-29(35)31(6,21-2)44(16,17)40-33(8,23-4)42(10,11)12/h20,28H,1,21-27H2,2-19H3
InChIKeyUQWSFAKFGGLMCB-UHFFFAOYSA-N
XLogP9.52
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.29
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoyl]oxy-3-prop-2-enoxypropyl] 2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoate?
The IUPAC name of [2-[2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoyl]oxy-3-prop-2-enoxypropyl] 2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoate (CID 90381810) is [2-[2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoyl]oxy-3-prop-2-enoxypropyl] 2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoate.
What is the SMILES notation for [2-[2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoyl]oxy-3-prop-2-enoxypropyl] 2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoate?
The canonical SMILES for [2-[2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoyl]oxy-3-prop-2-enoxypropyl] 2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoate is C=CCOCC(COC(=O)C(C)(CC)[Si](C)(C)OC(C)(CC)[Si](C)(C)C)OC(=O)C(C)(CC)[Si](C)(C)OC(C)(CC)[Si](C)(C)C.
What is the InChIKey of [2-[2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoyl]oxy-3-prop-2-enoxypropyl] 2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoate?
The InChIKey is UQWSFAKFGGLMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H72O7Si4/c1-20-25-37-26-28(39-30(36)32(7,22-3)45(18,19)41-34(9,24-5)43(13,14)15)27-38-29(35)31(6,21-2)44(16,17)40-33(8,23-4)42(10,11)12/h20,28H,1,21-27H2,2-19H3.
What are the key properties of [2-[2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoyl]oxy-3-prop-2-enoxypropyl] 2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoate?
[2-[2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoyl]oxy-3-prop-2-enoxypropyl] 2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoate has a molecular weight of 705.29 g/mol, XLogP of 9.52, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoyl]oxy-3-prop-2-enoxypropyl] 2-[dimethyl(2-trimethylsilylbutan-2-yloxy)silyl]-2-methylbutanoate is sourced from PubChem (CID 90381810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).