3-aminopropyl triethoxy silicate

C9H23NO7Si — CID 87731521

IUPAC3-aminopropyl triethoxy silicate
SMILESCCOO[Si](OCCCN)(OOCC)OOCC
InChIInChI=1S/C9H23NO7Si/c1-4-11-15-18(16-12-5-2,17-13-6-3)14-9-7-8-10/h4-10H2,1-3H3
InChIKeyVXSCWQSBEFKOQI-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.69
Rot. Bonds13

About 3-aminopropyl triethoxy silicate

3-aminopropyl triethoxy silicate (PubChem CID 87731521) has the molecular formula C9H23NO7Si and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-aminopropyl triethoxy silicate.

Molecular Properties

Compound Name3-aminopropyl triethoxy silicate
PubChem CID87731521
Molecular FormulaC9H23NO7Si
Molecular Weight285.37 g/mol
Exact Mass285.12
IUPAC Name3-aminopropyl triethoxy silicate
SMILESCCOO[Si](OCCCN)(OOCC)OOCC
InChIInChI=1S/C9H23NO7Si/c1-4-11-15-18(16-12-5-2,17-13-6-3)14-9-7-8-10/h4-10H2,1-3H3
InChIKeyVXSCWQSBEFKOQI-UHFFFAOYSA-N
XLogP0.69
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

triethoxy 3-hydroxypropyl silicate
CID 174779946
triethoxy propyl silicate
CID 174508791
4-aminobutyl triethyl silicate
CID 140519735
3-[3-aminopropoxy(dimethyl)silyl]oxypropan-1-amine
CID 23262420
tetraethoxy silicate;tetraethyl silicate
CID 174188107
3-chloropropyl diethoxy prop-2-enyl silicate
CID 174682643
methanol;tetraethoxy silicate
CID 131718397
3-trimethylsilyloxypropan-1-amine;hydrochloride
CID 175178807
4-[amino(diethoxy)silyl]oxybutan-1-amine
CID 87267549
3-(3-triethoxysilylpropoxy)propan-1-amine
CID 54154158
2-ethylperoxyethanamine
CID 54218217
3-(4-ethoxybutoxy)propan-1-amine
CID 87914179

Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl triethoxy silicate?
The IUPAC name of 3-aminopropyl triethoxy silicate (CID 87731521) is 3-aminopropyl triethoxy silicate.
What is the SMILES notation for 3-aminopropyl triethoxy silicate?
The canonical SMILES for 3-aminopropyl triethoxy silicate is CCOO[Si](OCCCN)(OOCC)OOCC.
What is the InChIKey of 3-aminopropyl triethoxy silicate?
The InChIKey is VXSCWQSBEFKOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NO7Si/c1-4-11-15-18(16-12-5-2,17-13-6-3)14-9-7-8-10/h4-10H2,1-3H3.
What are the key properties of 3-aminopropyl triethoxy silicate?
3-aminopropyl triethoxy silicate has a molecular weight of 285.37 g/mol, XLogP of 0.69, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl triethoxy silicate is sourced from PubChem (CID 87731521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).