ethyl 2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-2-enoate

C12H28O6Si4 — CID 140900162

IUPACethyl 2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-2-enoate
SMILESC=C(C(=O)OCC)[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C12H28O6Si4/c1-10-14-12(13)11(2)22(9)17-20(5,6)15-19(3,4)16-21(7,8)18-22/h2,10H2,1,3-9H3
InChIKeyNRPQTDMLODWEBS-UHFFFAOYSA-N
MW380.69 g/mol
LogP2.90
Rot. Bonds3

About ethyl 2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-2-enoate

ethyl 2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-2-enoate (PubChem CID 140900162) has the molecular formula C12H28O6Si4 and a molecular weight of 380.69 g/mol. Its IUPAC name is ethyl 2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-2-enoate
PubChem CID140900162
Molecular FormulaC12H28O6Si4
Molecular Weight380.69 g/mol
Exact Mass380.10
IUPAC Nameethyl 2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-2-enoate
SMILESC=C(C(=O)OCC)[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C12H28O6Si4/c1-10-14-12(13)11(2)22(9)17-20(5,6)15-19(3,4)16-21(7,8)18-22/h2,10H2,1,3-9H3
InChIKeyNRPQTDMLODWEBS-UHFFFAOYSA-N
XLogP2.90
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.69
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 ethyl 2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-2-enoate?
The IUPAC name of ethyl 2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-2-enoate (CID 140900162) is ethyl 2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-2-enoate?
The canonical SMILES for ethyl 2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-2-enoate is C=C(C(=O)OCC)[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.
What is the InChIKey of ethyl 2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-2-enoate?
The InChIKey is NRPQTDMLODWEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O6Si4/c1-10-14-12(13)11(2)22(9)17-20(5,6)15-19(3,4)16-21(7,8)18-22/h2,10H2,1,3-9H3.
What are the key properties of ethyl 2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-2-enoate?
ethyl 2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-2-enoate has a molecular weight of 380.69 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)prop-2-enoate is sourced from PubChem (CID 140900162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).