2-(3-ethoxypropyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C12H32O5Si4 — CID 67834193

IUPAC2-(3-ethoxypropyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCOCCC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C12H32O5Si4/c1-9-13-11-10-12-21(8)16-19(4,5)14-18(2,3)15-20(6,7)17-21/h9-12H2,1-8H3
InChIKeyMLHWCMPOWBUUID-UHFFFAOYSA-N
MW368.73 g/mol
LogP3.67
Rot. Bonds5

About 2-(3-ethoxypropyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

2-(3-ethoxypropyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 67834193) has the molecular formula C12H32O5Si4 and a molecular weight of 368.73 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID67834193
Molecular FormulaC12H32O5Si4
Molecular Weight368.73 g/mol
Exact Mass368.13
IUPAC Name2-(3-ethoxypropyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCOCCC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C12H32O5Si4/c1-9-13-11-10-12-21(8)16-19(4,5)14-18(2,3)15-20(6,7)17-21/h9-12H2,1-8H3
InChIKeyMLHWCMPOWBUUID-UHFFFAOYSA-N
XLogP3.67
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.73
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(3-ethoxypropyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 2-(3-ethoxypropyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 67834193) is 2-(3-ethoxypropyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 2-(3-ethoxypropyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 2-(3-ethoxypropyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is CCOCCC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.
What is the InChIKey of 2-(3-ethoxypropyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is MLHWCMPOWBUUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H32O5Si4/c1-9-13-11-10-12-21(8)16-19(4,5)14-18(2,3)15-20(6,7)17-21/h9-12H2,1-8H3.
What are the key properties of 2-(3-ethoxypropyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
2-(3-ethoxypropyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 368.73 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 67834193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).