triethoxy-[2-[2-[ethoxy(methyl)phosphoryl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane

C19H34NO6PSi — CID 89432188

IUPACtriethoxy-[2-[2-[ethoxy(methyl)phosphoryl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane
SMILESCCO[Si](CCN1Cc2ccccc2OC1P(C)(=O)OCC)(OCC)OCC
InChIInChI=1S/C19H34NO6PSi/c1-6-22-27(5,21)19-20(16-17-12-10-11-13-18(17)26-19)14-15-28(23-7-2,24-8-3)25-9-4/h10-13,19H,6-9,14-16H2,1-5H3
InChIKeyPHFIFTVUVOPHPQ-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.16
Rot. Bonds12

About triethoxy-[2-[2-[ethoxy(methyl)phosphoryl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane

triethoxy-[2-[2-[ethoxy(methyl)phosphoryl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane (PubChem CID 89432188) has the molecular formula C19H34NO6PSi and a molecular weight of 431.54 g/mol. Its IUPAC name is triethoxy-[2-[2-[ethoxy(methyl)phosphoryl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane.

Molecular Properties

Compound Nametriethoxy-[2-[2-[ethoxy(methyl)phosphoryl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane
PubChem CID89432188
Molecular FormulaC19H34NO6PSi
Molecular Weight431.54 g/mol
Exact Mass431.19
IUPAC Nametriethoxy-[2-[2-[ethoxy(methyl)phosphoryl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane
SMILESCCO[Si](CCN1Cc2ccccc2OC1P(C)(=O)OCC)(OCC)OCC
InChIInChI=1S/C19H34NO6PSi/c1-6-22-27(5,21)19-20(16-17-12-10-11-13-18(17)26-19)14-15-28(23-7-2,24-8-3)25-9-4/h10-13,19H,6-9,14-16H2,1-5H3
InChIKeyPHFIFTVUVOPHPQ-UHFFFAOYSA-N
XLogP4.16
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethoxy-[2-[2-[ethoxy(methyl)phosphoryl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane?
The IUPAC name of triethoxy-[2-[2-[ethoxy(methyl)phosphoryl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane (CID 89432188) is triethoxy-[2-[2-[ethoxy(methyl)phosphoryl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane.
What is the SMILES notation for triethoxy-[2-[2-[ethoxy(methyl)phosphoryl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane?
The canonical SMILES for triethoxy-[2-[2-[ethoxy(methyl)phosphoryl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane is CCO[Si](CCN1Cc2ccccc2OC1P(C)(=O)OCC)(OCC)OCC.
What is the InChIKey of triethoxy-[2-[2-[ethoxy(methyl)phosphoryl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane?
The InChIKey is PHFIFTVUVOPHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34NO6PSi/c1-6-22-27(5,21)19-20(16-17-12-10-11-13-18(17)26-19)14-15-28(23-7-2,24-8-3)25-9-4/h10-13,19H,6-9,14-16H2,1-5H3.
What are the key properties of triethoxy-[2-[2-[ethoxy(methyl)phosphoryl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane?
triethoxy-[2-[2-[ethoxy(methyl)phosphoryl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane has a molecular weight of 431.54 g/mol, XLogP of 4.16, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[2-[2-[ethoxy(methyl)phosphoryl]-2,4-dihydro-1,3-benzoxazin-3-yl]ethyl]silane is sourced from PubChem (CID 89432188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).