4-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butan-1-amine

C11H31NO4Si4 — CID 20511037

IUPAC4-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butan-1-amine
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(CCCCN)O[Si](C)(C)O1
InChIInChI=1S/C11H31NO4Si4/c1-17(2)13-18(3,4)15-20(7,11-9-8-10-12)16-19(5,6)14-17/h8-12H2,1-7H3
InChIKeyDDTPQQFJWDRNKW-UHFFFAOYSA-N
MW353.72 g/mol
LogP2.98
Rot. Bonds4

About 4-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butan-1-amine

4-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butan-1-amine (PubChem CID 20511037) has the molecular formula C11H31NO4Si4 and a molecular weight of 353.72 g/mol. Its IUPAC name is 4-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butan-1-amine
PubChem CID20511037
Molecular FormulaC11H31NO4Si4
Molecular Weight353.72 g/mol
Exact Mass353.13
IUPAC Name4-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butan-1-amine
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(CCCCN)O[Si](C)(C)O1
InChIInChI=1S/C11H31NO4Si4/c1-17(2)13-18(3,4)15-20(7,11-9-8-10-12)16-19(5,6)14-17/h8-12H2,1-7H3
InChIKeyDDTPQQFJWDRNKW-UHFFFAOYSA-N
XLogP2.98
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.72
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4,4,6,6,8,8,10,10,12,12,14,14,16,16-pentadecamethyl-1,3,5,7,9,11,13,15-octaoxa-2,4,6,8,10,12,14,16-octasilacyclohexadec-2-yl)propanenitrile
CID 6429713
2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22-docosamethyl-1,3,5,7,9,11,13,15,17,19,21-undecaoxa-2,4,6,8,10,12,14,16,18,20,22-undecasilacyclodocosane
CID 519600
2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46,48,48,50,50,52,52,54,54,56,56,58,58-octapentacontamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57-nonacosaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosasilacyclooctapentacontane
CID 528782
N'-[3-(2-hydroxy-4,4,6,6-tetramethyl-1,3,5,2,4,6-trioxatrisilinan-2-yl)propyl]ethane-1,2-diamine
CID 174098906
3-(3,5,7,9,11,13,15-heptamethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl)propan-1-amine
CID 58718104
2,4,6,8-tetramethyl-2,4,6-trioctyl-8-propyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 58021544
2-butyl-8-ethyl-2,4,4,6,6,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilonane
CID 157379219
3-[(9S,11S)-13-(3-aminopropyl-hydroxy-methylsilyl)oxy-1,3,5,7,9,11,13,15-octamethyl-2,4,6,8,10,12,14,16,17,18,19-undecaoxa-1,3,5,7,9,11,13,15-octasilatetracyclo[9.5.1.13,9.15,15]nonadecan-7-yl]propan-1-amine
CID 161126036
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
tris[2-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)ethyl]-[2-[hydroxy(dimethyl)silyl]ethyl]silane
CID 19013181
3-(3,5,7-trimethyl-2,4,6,8,9-pentaoxa-1,3,5,7-tetrasilabicyclo[3.3.1]nonan-1-yl)propan-1-amine
CID 123422886
3-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propanoate
CID 86754047

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butan-1-amine?
The IUPAC name of 4-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butan-1-amine (CID 20511037) is 4-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butan-1-amine.
What is the SMILES notation for 4-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butan-1-amine?
The canonical SMILES for 4-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butan-1-amine is C[Si]1(C)O[Si](C)(C)O[Si](C)(CCCCN)O[Si](C)(C)O1.
What is the InChIKey of 4-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butan-1-amine?
The InChIKey is DDTPQQFJWDRNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H31NO4Si4/c1-17(2)13-18(3,4)15-20(7,11-9-8-10-12)16-19(5,6)14-17/h8-12H2,1-7H3.
What are the key properties of 4-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butan-1-amine?
4-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butan-1-amine has a molecular weight of 353.72 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)butan-1-amine is sourced from PubChem (CID 20511037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).