3-(2-ethoxy-4-methoxy-4,6,6,8,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propan-1-amine

C11H31NO6Si4 — CID 167539584

IUPAC3-(2-ethoxy-4-methoxy-4,6,6,8,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propan-1-amine
SMILESCCO[Si]1(CCCN)O[Si](C)(C)O[Si](C)(C)O[Si](C)(OC)O1
InChIInChI=1S/C11H31NO6Si4/c1-8-14-22(11-9-10-12)17-20(5,6)15-19(3,4)16-21(7,13-2)18-22/h8-12H2,1-7H3
InChIKeySOWMHCUFBRUBCB-UHFFFAOYSA-N
MW385.71 g/mol
LogP2.01
Rot. Bonds6

About 3-(2-ethoxy-4-methoxy-4,6,6,8,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propan-1-amine

3-(2-ethoxy-4-methoxy-4,6,6,8,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propan-1-amine (PubChem CID 167539584) has the molecular formula C11H31NO6Si4 and a molecular weight of 385.71 g/mol. Its IUPAC name is 3-(2-ethoxy-4-methoxy-4,6,6,8,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-ethoxy-4-methoxy-4,6,6,8,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propan-1-amine
PubChem CID167539584
Molecular FormulaC11H31NO6Si4
Molecular Weight385.71 g/mol
Exact Mass385.12
IUPAC Name3-(2-ethoxy-4-methoxy-4,6,6,8,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propan-1-amine
SMILESCCO[Si]1(CCCN)O[Si](C)(C)O[Si](C)(C)O[Si](C)(OC)O1
InChIInChI=1S/C11H31NO6Si4/c1-8-14-22(11-9-10-12)17-20(5,6)15-19(3,4)16-21(7,13-2)18-22/h8-12H2,1-7H3
InChIKeySOWMHCUFBRUBCB-UHFFFAOYSA-N
XLogP2.01
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.71
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-4-methoxy-4,6,6,8,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propan-1-amine?
The IUPAC name of 3-(2-ethoxy-4-methoxy-4,6,6,8,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propan-1-amine (CID 167539584) is 3-(2-ethoxy-4-methoxy-4,6,6,8,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propan-1-amine.
What is the SMILES notation for 3-(2-ethoxy-4-methoxy-4,6,6,8,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propan-1-amine?
The canonical SMILES for 3-(2-ethoxy-4-methoxy-4,6,6,8,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propan-1-amine is CCO[Si]1(CCCN)O[Si](C)(C)O[Si](C)(C)O[Si](C)(OC)O1.
What is the InChIKey of 3-(2-ethoxy-4-methoxy-4,6,6,8,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propan-1-amine?
The InChIKey is SOWMHCUFBRUBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H31NO6Si4/c1-8-14-22(11-9-10-12)17-20(5,6)15-19(3,4)16-21(7,13-2)18-22/h8-12H2,1-7H3.
What are the key properties of 3-(2-ethoxy-4-methoxy-4,6,6,8,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propan-1-amine?
3-(2-ethoxy-4-methoxy-4,6,6,8,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propan-1-amine has a molecular weight of 385.71 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-4-methoxy-4,6,6,8,8-pentamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propan-1-amine is sourced from PubChem (CID 167539584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).