(1-amino-4-ethoxydecan-4-yl) diethyl heptyl silicate

C23H51NO5Si — CID 174933385

IUPAC(1-amino-4-ethoxydecan-4-yl) diethyl heptyl silicate
SMILESCCCCCCCO[Si](OCC)(OCC)OC(CCCN)(CCCCCC)OCC
InChIInChI=1S/C23H51NO5Si/c1-6-11-13-15-17-22-28-30(26-9-4,27-10-5)29-23(25-8-3,20-18-21-24)19-16-14-12-7-2/h6-22,24H2,1-5H3
InChIKeyOHAAXRHOPOAYRD-UHFFFAOYSA-N
MW449.75 g/mol
LogP5.94
Rot. Bonds23

About (1-amino-4-ethoxydecan-4-yl) diethyl heptyl silicate

(1-amino-4-ethoxydecan-4-yl) diethyl heptyl silicate (PubChem CID 174933385) has the molecular formula C23H51NO5Si and a molecular weight of 449.75 g/mol. Its IUPAC name is (1-amino-4-ethoxydecan-4-yl) diethyl heptyl silicate.

Molecular Properties

Compound Name(1-amino-4-ethoxydecan-4-yl) diethyl heptyl silicate
PubChem CID174933385
Molecular FormulaC23H51NO5Si
Molecular Weight449.75 g/mol
Exact Mass449.35
IUPAC Name(1-amino-4-ethoxydecan-4-yl) diethyl heptyl silicate
SMILESCCCCCCCO[Si](OCC)(OCC)OC(CCCN)(CCCCCC)OCC
InChIInChI=1S/C23H51NO5Si/c1-6-11-13-15-17-22-28-30(26-9-4,27-10-5)29-23(25-8-3,20-18-21-24)19-16-14-12-7-2/h6-22,24H2,1-5H3
InChIKeyOHAAXRHOPOAYRD-UHFFFAOYSA-N
XLogP5.94
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.75
LogP ≤ 55.94
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1-amino-4-ethoxyheptan-4-yl) (dimethylamino)methyl diethyl silicate
CID 174767471
diethyl dioctyl silicate
CID 154218739
tridodecyl ethyl silicate
CID 154324829
4-aminobutyl triethyl silicate
CID 140519735
3-trihexadecoxysilylpropan-1-amine
CID 87405617
3,3-diethoxy-1-propoxydodecane
CID 172848936
decyl trihexyl silicate
CID 141280760
nonyl tripentyl silicate
CID 141280747
triheptyl pentyl silicate
CID 141280740
6-tripentoxysilylhexan-1-amine
CID 152508476
ethyl dimethyl pentyl silicate
CID 88851017
3,3-diethoxyoctane
CID 89440562

Frequently Asked Questions

What is the IUPAC name of (1-amino-4-ethoxydecan-4-yl) diethyl heptyl silicate?
The IUPAC name of (1-amino-4-ethoxydecan-4-yl) diethyl heptyl silicate (CID 174933385) is (1-amino-4-ethoxydecan-4-yl) diethyl heptyl silicate.
What is the SMILES notation for (1-amino-4-ethoxydecan-4-yl) diethyl heptyl silicate?
The canonical SMILES for (1-amino-4-ethoxydecan-4-yl) diethyl heptyl silicate is CCCCCCCO[Si](OCC)(OCC)OC(CCCN)(CCCCCC)OCC.
What is the InChIKey of (1-amino-4-ethoxydecan-4-yl) diethyl heptyl silicate?
The InChIKey is OHAAXRHOPOAYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H51NO5Si/c1-6-11-13-15-17-22-28-30(26-9-4,27-10-5)29-23(25-8-3,20-18-21-24)19-16-14-12-7-2/h6-22,24H2,1-5H3.
What are the key properties of (1-amino-4-ethoxydecan-4-yl) diethyl heptyl silicate?
(1-amino-4-ethoxydecan-4-yl) diethyl heptyl silicate has a molecular weight of 449.75 g/mol, XLogP of 5.94, 23 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-4-ethoxydecan-4-yl) diethyl heptyl silicate is sourced from PubChem (CID 174933385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).