methyl tris(4-methylpent-2-en-2-ylamino) silicate

C19H39N3O4Si — CID 54191118

IUPACmethyl tris(4-methylpent-2-en-2-ylamino) silicate
SMILESCO[Si](ONC(C)=CC(C)C)(ONC(C)=CC(C)C)ONC(C)=CC(C)C
InChIInChI=1S/C19H39N3O4Si/c1-14(2)11-17(7)20-24-27(23-10,25-21-18(8)12-15(3)4)26-22-19(9)13-16(5)6/h11-16,20-22H,1-10H3
InChIKeyPIOXUJAVRCSJPJ-UHFFFAOYSA-N
MW401.62 g/mol
LogP4.31
Rot. Bonds13

About methyl tris(4-methylpent-2-en-2-ylamino) silicate

methyl tris(4-methylpent-2-en-2-ylamino) silicate (PubChem CID 54191118) has the molecular formula C19H39N3O4Si and a molecular weight of 401.62 g/mol. Its IUPAC name is methyl tris(4-methylpent-2-en-2-ylamino) silicate.

Molecular Properties

Compound Namemethyl tris(4-methylpent-2-en-2-ylamino) silicate
PubChem CID54191118
Molecular FormulaC19H39N3O4Si
Molecular Weight401.62 g/mol
Exact Mass401.27
IUPAC Namemethyl tris(4-methylpent-2-en-2-ylamino) silicate
SMILESCO[Si](ONC(C)=CC(C)C)(ONC(C)=CC(C)C)ONC(C)=CC(C)C
InChIInChI=1S/C19H39N3O4Si/c1-14(2)11-17(7)20-24-27(23-10,25-21-18(8)12-15(3)4)26-22-19(9)13-16(5)6/h11-16,20-22H,1-10H3
InChIKeyPIOXUJAVRCSJPJ-UHFFFAOYSA-N
XLogP4.31
TPSA73.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.62
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 methyl tris(4-methylpent-2-en-2-ylamino) silicate?
The IUPAC name of methyl tris(4-methylpent-2-en-2-ylamino) silicate (CID 54191118) is methyl tris(4-methylpent-2-en-2-ylamino) silicate.
What is the SMILES notation for methyl tris(4-methylpent-2-en-2-ylamino) silicate?
The canonical SMILES for methyl tris(4-methylpent-2-en-2-ylamino) silicate is CO[Si](ONC(C)=CC(C)C)(ONC(C)=CC(C)C)ONC(C)=CC(C)C.
What is the InChIKey of methyl tris(4-methylpent-2-en-2-ylamino) silicate?
The InChIKey is PIOXUJAVRCSJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N3O4Si/c1-14(2)11-17(7)20-24-27(23-10,25-21-18(8)12-15(3)4)26-22-19(9)13-16(5)6/h11-16,20-22H,1-10H3.
What are the key properties of methyl tris(4-methylpent-2-en-2-ylamino) silicate?
methyl tris(4-methylpent-2-en-2-ylamino) silicate has a molecular weight of 401.62 g/mol, XLogP of 4.31, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl tris(4-methylpent-2-en-2-ylamino) silicate is sourced from PubChem (CID 54191118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).