tetrakis(hept-2-en-2-ylamino) silicate

C28H56N4O4Si — CID 57003669

IUPACtetrakis(hept-2-en-2-ylamino) silicate
SMILESCCCCC=C(C)NO[Si](ONC(C)=CCCCC)(ONC(C)=CCCCC)ONC(C)=CCCCC
InChIInChI=1S/C28H56N4O4Si/c1-9-13-17-21-25(5)29-33-37(34-30-26(6)22-18-14-10-2,35-31-27(7)23-19-15-11-3)36-32-28(8)24-20-16-12-4/h21-24,29-32H,9-20H2,1-8H3
InChIKeyXZTANSHIGVBVNV-UHFFFAOYSA-N
MW540.87 g/mol
LogP7.88
Rot. Bonds24

About tetrakis(hept-2-en-2-ylamino) silicate

tetrakis(hept-2-en-2-ylamino) silicate (PubChem CID 57003669) has the molecular formula C28H56N4O4Si and a molecular weight of 540.87 g/mol. Its IUPAC name is tetrakis(hept-2-en-2-ylamino) silicate.

Molecular Properties

Compound Nametetrakis(hept-2-en-2-ylamino) silicate
PubChem CID57003669
Molecular FormulaC28H56N4O4Si
Molecular Weight540.87 g/mol
Exact Mass540.41
IUPAC Nametetrakis(hept-2-en-2-ylamino) silicate
SMILESCCCCC=C(C)NO[Si](ONC(C)=CCCCC)(ONC(C)=CCCCC)ONC(C)=CCCCC
InChIInChI=1S/C28H56N4O4Si/c1-9-13-17-21-25(5)29-33-37(34-30-26(6)22-18-14-10-2,35-31-27(7)23-19-15-11-3)36-32-28(8)24-20-16-12-4/h21-24,29-32H,9-20H2,1-8H3
InChIKeyXZTANSHIGVBVNV-UHFFFAOYSA-N
XLogP7.88
TPSA85.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.87
LogP ≤ 57.88
H-Bond Donors ≤ 54
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'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(hept-2-en-2-ylamino) silicate?
The IUPAC name of tetrakis(hept-2-en-2-ylamino) silicate (CID 57003669) is tetrakis(hept-2-en-2-ylamino) silicate.
What is the SMILES notation for tetrakis(hept-2-en-2-ylamino) silicate?
The canonical SMILES for tetrakis(hept-2-en-2-ylamino) silicate is CCCCC=C(C)NO[Si](ONC(C)=CCCCC)(ONC(C)=CCCCC)ONC(C)=CCCCC.
What is the InChIKey of tetrakis(hept-2-en-2-ylamino) silicate?
The InChIKey is XZTANSHIGVBVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56N4O4Si/c1-9-13-17-21-25(5)29-33-37(34-30-26(6)22-18-14-10-2,35-31-27(7)23-19-15-11-3)36-32-28(8)24-20-16-12-4/h21-24,29-32H,9-20H2,1-8H3.
What are the key properties of tetrakis(hept-2-en-2-ylamino) silicate?
tetrakis(hept-2-en-2-ylamino) silicate has a molecular weight of 540.87 g/mol, XLogP of 7.88, 24 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(hept-2-en-2-ylamino) silicate is sourced from PubChem (CID 57003669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).