tris(hept-2-en-2-ylamino) methyl silicate

C22H45N3O4Si — CID 54179935

IUPACtris(hept-2-en-2-ylamino) methyl silicate
SMILESCCCCC=C(C)NO[Si](OC)(ONC(C)=CCCCC)ONC(C)=CCCCC
InChIInChI=1S/C22H45N3O4Si/c1-8-11-14-17-20(4)23-27-30(26-7,28-24-21(5)18-15-12-9-2)29-25-22(6)19-16-13-10-3/h17-19,23-25H,8-16H2,1-7H3
InChIKeyPBBUTSLMFKYNLR-UHFFFAOYSA-N
MW443.71 g/mol
LogP5.91
Rot. Bonds19

About tris(hept-2-en-2-ylamino) methyl silicate

tris(hept-2-en-2-ylamino) methyl silicate (PubChem CID 54179935) has the molecular formula C22H45N3O4Si and a molecular weight of 443.71 g/mol. Its IUPAC name is tris(hept-2-en-2-ylamino) methyl silicate.

Molecular Properties

Compound Nametris(hept-2-en-2-ylamino) methyl silicate
PubChem CID54179935
Molecular FormulaC22H45N3O4Si
Molecular Weight443.71 g/mol
Exact Mass443.32
IUPAC Nametris(hept-2-en-2-ylamino) methyl silicate
SMILESCCCCC=C(C)NO[Si](OC)(ONC(C)=CCCCC)ONC(C)=CCCCC
InChIInChI=1S/C22H45N3O4Si/c1-8-11-14-17-20(4)23-27-30(26-7,28-24-21(5)18-15-12-9-2)29-25-22(6)19-16-13-10-3/h17-19,23-25H,8-16H2,1-7H3
InChIKeyPBBUTSLMFKYNLR-UHFFFAOYSA-N
XLogP5.91
TPSA73.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.71
LogP ≤ 55.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 tris(hept-2-en-2-ylamino) methyl silicate?
The IUPAC name of tris(hept-2-en-2-ylamino) methyl silicate (CID 54179935) is tris(hept-2-en-2-ylamino) methyl silicate.
What is the SMILES notation for tris(hept-2-en-2-ylamino) methyl silicate?
The canonical SMILES for tris(hept-2-en-2-ylamino) methyl silicate is CCCCC=C(C)NO[Si](OC)(ONC(C)=CCCCC)ONC(C)=CCCCC.
What is the InChIKey of tris(hept-2-en-2-ylamino) methyl silicate?
The InChIKey is PBBUTSLMFKYNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N3O4Si/c1-8-11-14-17-20(4)23-27-30(26-7,28-24-21(5)18-15-12-9-2)29-25-22(6)19-16-13-10-3/h17-19,23-25H,8-16H2,1-7H3.
What are the key properties of tris(hept-2-en-2-ylamino) methyl silicate?
tris(hept-2-en-2-ylamino) methyl silicate has a molecular weight of 443.71 g/mol, XLogP of 5.91, 19 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(hept-2-en-2-ylamino) methyl silicate is sourced from PubChem (CID 54179935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).