4-(methyl-silyloxysilyloxysilyloxysilyloxysilyloxy-tridecylsilyl)butan-1-amine

C18H51NO5Si6 — CID 175346500

IUPAC4-(methyl-silyloxysilyloxysilyloxysilyloxysilyloxy-tridecylsilyl)butan-1-amine
SMILESCCCCCCCCCCCCC[Si](C)(CCCCN)O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH3]
InChIInChI=1S/C18H51NO5Si6/c1-3-4-5-6-7-8-9-10-11-12-14-17-30(2,18-15-13-16-19)24-29-23-28-22-27-21-26-20-25/h3-19,26-29H2,1-2,25H3
InChIKeyAGCHAOOGGNIRIY-UHFFFAOYSA-N
MW530.12 g/mol
LogP0.97
Rot. Bonds25

About 4-(methyl-silyloxysilyloxysilyloxysilyloxysilyloxy-tridecylsilyl)butan-1-amine

4-(methyl-silyloxysilyloxysilyloxysilyloxysilyloxy-tridecylsilyl)butan-1-amine (PubChem CID 175346500) has the molecular formula C18H51NO5Si6 and a molecular weight of 530.12 g/mol. Its IUPAC name is 4-(methyl-silyloxysilyloxysilyloxysilyloxysilyloxy-tridecylsilyl)butan-1-amine.

Molecular Properties

Compound Name4-(methyl-silyloxysilyloxysilyloxysilyloxysilyloxy-tridecylsilyl)butan-1-amine
PubChem CID175346500
Molecular FormulaC18H51NO5Si6
Molecular Weight530.12 g/mol
Exact Mass529.24
IUPAC Name4-(methyl-silyloxysilyloxysilyloxysilyloxysilyloxy-tridecylsilyl)butan-1-amine
SMILESCCCCCCCCCCCCC[Si](C)(CCCCN)O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH3]
InChIInChI=1S/C18H51NO5Si6/c1-3-4-5-6-7-8-9-10-11-12-14-17-30(2,18-15-13-16-19)24-29-23-28-22-27-21-26-20-25/h3-19,26-29H2,1-2,25H3
InChIKeyAGCHAOOGGNIRIY-UHFFFAOYSA-N
XLogP0.97
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.12
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[dihexyl(methyl)silyl]hexan-1-amine
CID 132992433
hexyl(silyloxysilyloxysilyloxy)silane
CID 154162764
3-silyloxysilyloxysilyloxysilyloxysilyloxysilyloxysilyloxysilyloxysilyloxysilylpropan-1-amine
CID 175991453
tridecan-1-amine;undecan-1-amine
CID 23045943
butane-1,4-diamine;hexan-1-amine
CID 162097736
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
3-[hexyl(silyloxysilyloxy)silyl]propan-1-amine
CID 161440901
3-[hexyl(dimethyl)silyl]propan-1-amine
CID 139880015
octadecyl(silyloxysilyloxy)silane
CID 123979897
azane;hexadecan-1-amine
CID 19891859

Frequently Asked Questions

What is the IUPAC name of 4-(methyl-silyloxysilyloxysilyloxysilyloxysilyloxy-tridecylsilyl)butan-1-amine?
The IUPAC name of 4-(methyl-silyloxysilyloxysilyloxysilyloxysilyloxy-tridecylsilyl)butan-1-amine (CID 175346500) is 4-(methyl-silyloxysilyloxysilyloxysilyloxysilyloxy-tridecylsilyl)butan-1-amine.
What is the SMILES notation for 4-(methyl-silyloxysilyloxysilyloxysilyloxysilyloxy-tridecylsilyl)butan-1-amine?
The canonical SMILES for 4-(methyl-silyloxysilyloxysilyloxysilyloxysilyloxy-tridecylsilyl)butan-1-amine is CCCCCCCCCCCCC[Si](C)(CCCCN)O[SiH2]O[SiH2]O[SiH2]O[SiH2]O[SiH3].
What is the InChIKey of 4-(methyl-silyloxysilyloxysilyloxysilyloxysilyloxy-tridecylsilyl)butan-1-amine?
The InChIKey is AGCHAOOGGNIRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H51NO5Si6/c1-3-4-5-6-7-8-9-10-11-12-14-17-30(2,18-15-13-16-19)24-29-23-28-22-27-21-26-20-25/h3-19,26-29H2,1-2,25H3.
What are the key properties of 4-(methyl-silyloxysilyloxysilyloxysilyloxysilyloxy-tridecylsilyl)butan-1-amine?
4-(methyl-silyloxysilyloxysilyloxysilyloxysilyloxy-tridecylsilyl)butan-1-amine has a molecular weight of 530.12 g/mol, XLogP of 0.97, 25 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methyl-silyloxysilyloxysilyloxysilyloxysilyloxy-tridecylsilyl)butan-1-amine is sourced from PubChem (CID 175346500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).