phenyl 6-oxo-6-(3-trimethoxysilylpropylamino)hexanoate

C18H29NO6Si — CID 59747372

IUPACphenyl 6-oxo-6-(3-trimethoxysilylpropylamino)hexanoate
SMILESCO[Si](CCCNC(=O)CCCCC(=O)Oc1ccccc1)(OC)OC
InChIInChI=1S/C18H29NO6Si/c1-22-26(23-2,24-3)15-9-14-19-17(20)12-7-8-13-18(21)25-16-10-5-4-6-11-16/h4-6,10-11H,7-9,12-15H2,1-3H3,(H,19,20)
InChIKeyRDAUCBAJVFNEGC-UHFFFAOYSA-N
MW383.52 g/mol
LogP2.54
Rot. Bonds13

About phenyl 6-oxo-6-(3-trimethoxysilylpropylamino)hexanoate

phenyl 6-oxo-6-(3-trimethoxysilylpropylamino)hexanoate (PubChem CID 59747372) has the molecular formula C18H29NO6Si and a molecular weight of 383.52 g/mol. Its IUPAC name is phenyl 6-oxo-6-(3-trimethoxysilylpropylamino)hexanoate.

Molecular Properties

Compound Namephenyl 6-oxo-6-(3-trimethoxysilylpropylamino)hexanoate
PubChem CID59747372
Molecular FormulaC18H29NO6Si
Molecular Weight383.52 g/mol
Exact Mass383.18
IUPAC Namephenyl 6-oxo-6-(3-trimethoxysilylpropylamino)hexanoate
SMILESCO[Si](CCCNC(=O)CCCCC(=O)Oc1ccccc1)(OC)OC
InChIInChI=1S/C18H29NO6Si/c1-22-26(23-2,24-3)15-9-14-19-17(20)12-7-8-13-18(21)25-16-10-5-4-6-11-16/h4-6,10-11H,7-9,12-15H2,1-3H3,(H,19,20)
InChIKeyRDAUCBAJVFNEGC-UHFFFAOYSA-N
XLogP2.54
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 52.54
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl 6-(decanoylamino)hexanoate;sulfuric acid
CID 23211099
N-(2-phenylethyl)-4-trimethoxysilylbutanamide
CID 174613430
diphenyl nonanedioate
CID 18428919
methyl 8-oxo-8-(2-phenylethylamino)octanoate
CID 42600200
phenyl 4-(methylamino)butanoate
CID 54754121
N-(3-trimethoxysilylpropyl)tricosanamide
CID 175992989
N-(3-trimethoxysilylpropyl)octanamide
CID 71362207
phenyl triacontanoate
CID 54018873
phenyl hexapentacontanoate
CID 139682998
phenyl hexacosanoate
CID 23321598
phenyl 6-aminohexanoate
CID 67610552
phenyl tridecanoate
CID 54389784

Frequently Asked Questions

What is the IUPAC name of phenyl 6-oxo-6-(3-trimethoxysilylpropylamino)hexanoate?
The IUPAC name of phenyl 6-oxo-6-(3-trimethoxysilylpropylamino)hexanoate (CID 59747372) is phenyl 6-oxo-6-(3-trimethoxysilylpropylamino)hexanoate.
What is the SMILES notation for phenyl 6-oxo-6-(3-trimethoxysilylpropylamino)hexanoate?
The canonical SMILES for phenyl 6-oxo-6-(3-trimethoxysilylpropylamino)hexanoate is CO[Si](CCCNC(=O)CCCCC(=O)Oc1ccccc1)(OC)OC.
What is the InChIKey of phenyl 6-oxo-6-(3-trimethoxysilylpropylamino)hexanoate?
The InChIKey is RDAUCBAJVFNEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO6Si/c1-22-26(23-2,24-3)15-9-14-19-17(20)12-7-8-13-18(21)25-16-10-5-4-6-11-16/h4-6,10-11H,7-9,12-15H2,1-3H3,(H,19,20).
What are the key properties of phenyl 6-oxo-6-(3-trimethoxysilylpropylamino)hexanoate?
phenyl 6-oxo-6-(3-trimethoxysilylpropylamino)hexanoate has a molecular weight of 383.52 g/mol, XLogP of 2.54, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 6-oxo-6-(3-trimethoxysilylpropylamino)hexanoate is sourced from PubChem (CID 59747372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).