propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)-2-methylprop-2-enoate

C16H34O3Si3 — CID 175474967

IUPACpropyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)-2-methylprop-2-enoate
SMILESCCCOC(=O)C(C)=C[Si]1(C)OC(C)(C)C[Si](C)(C)[Si]1(C)C
InChIInChI=1S/C16H34O3Si3/c1-10-11-18-15(17)14(2)12-22(9)19-16(3,4)13-20(5,6)21(22,7)8/h12H,10-11,13H2,1-9H3
InChIKeyZMWNSZZZRQCGPO-UHFFFAOYSA-N
MW358.70 g/mol
LogP4.38
Rot. Bonds4

About propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)-2-methylprop-2-enoate

propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)-2-methylprop-2-enoate (PubChem CID 175474967) has the molecular formula C16H34O3Si3 and a molecular weight of 358.70 g/mol. Its IUPAC name is propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)-2-methylprop-2-enoate.

Molecular Properties

Compound Namepropyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)-2-methylprop-2-enoate
PubChem CID175474967
Molecular FormulaC16H34O3Si3
Molecular Weight358.70 g/mol
Exact Mass358.18
IUPAC Namepropyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)-2-methylprop-2-enoate
SMILESCCCOC(=O)C(C)=C[Si]1(C)OC(C)(C)C[Si](C)(C)[Si]1(C)C
InChIInChI=1S/C16H34O3Si3/c1-10-11-18-15(17)14(2)12-22(9)19-16(3,4)13-20(5,6)21(22,7)8/h12H,10-11,13H2,1-9H3
InChIKeyZMWNSZZZRQCGPO-UHFFFAOYSA-N
XLogP4.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.70
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)-2-methylprop-2-enoate?
The IUPAC name of propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)-2-methylprop-2-enoate (CID 175474967) is propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)-2-methylprop-2-enoate.
What is the SMILES notation for propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)-2-methylprop-2-enoate?
The canonical SMILES for propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)-2-methylprop-2-enoate is CCCOC(=O)C(C)=C[Si]1(C)OC(C)(C)C[Si](C)(C)[Si]1(C)C.
What is the InChIKey of propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)-2-methylprop-2-enoate?
The InChIKey is ZMWNSZZZRQCGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3Si3/c1-10-11-18-15(17)14(2)12-22(9)19-16(3,4)13-20(5,6)21(22,7)8/h12H,10-11,13H2,1-9H3.
What are the key properties of propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)-2-methylprop-2-enoate?
propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)-2-methylprop-2-enoate has a molecular weight of 358.70 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(2,3,3,4,4,6,6-heptamethyloxatrisilinan-2-yl)-2-methylprop-2-enoate is sourced from PubChem (CID 175474967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).