[dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silyl]oxy-dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silane

C32H48N2O3Si2 — CID 132934355

IUPAC[dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silyl]oxy-dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silane
SMILESC=CCc1cccc2c1OCN(CCC[Si](C)(C)O[Si](C)(C)CCCN1COc3c(CC=C)cccc3C1)C2
InChIInChI=1S/C32H48N2O3Si2/c1-7-13-27-15-9-17-29-23-33(25-35-31(27)29)19-11-21-38(3,4)37-39(5,6)22-12-20-34-24-30-18-10-16-28(14-8-2)32(30)36-26-34/h7-10,15-18H,1-2,11-14,19-26H2,3-6H3
InChIKeyQWULVWQUIHZDQC-UHFFFAOYSA-N
MW564.92 g/mol
LogP7.35
Rot. Bonds14

About [dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silyl]oxy-dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silane

[dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silyl]oxy-dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silane (PubChem CID 132934355) has the molecular formula C32H48N2O3Si2 and a molecular weight of 564.92 g/mol. Its IUPAC name is [dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silyl]oxy-dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silane.

Molecular Properties

Compound Name[dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silyl]oxy-dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silane
PubChem CID132934355
Molecular FormulaC32H48N2O3Si2
Molecular Weight564.92 g/mol
Exact Mass564.32
IUPAC Name[dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silyl]oxy-dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silane
SMILESC=CCc1cccc2c1OCN(CCC[Si](C)(C)O[Si](C)(C)CCCN1COc3c(CC=C)cccc3C1)C2
InChIInChI=1S/C32H48N2O3Si2/c1-7-13-27-15-9-17-29-23-33(25-35-31(27)29)19-11-21-38(3,4)37-39(5,6)22-12-20-34-24-30-18-10-16-28(14-8-2)32(30)36-26-34/h7-10,15-18H,1-2,11-14,19-26H2,3-6H3
InChIKeyQWULVWQUIHZDQC-UHFFFAOYSA-N
XLogP7.35
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.92
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silyl]oxy-dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silane?
The IUPAC name of [dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silyl]oxy-dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silane (CID 132934355) is [dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silyl]oxy-dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silane.
What is the SMILES notation for [dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silyl]oxy-dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silane?
The canonical SMILES for [dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silyl]oxy-dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silane is C=CCc1cccc2c1OCN(CCC[Si](C)(C)O[Si](C)(C)CCCN1COc3c(CC=C)cccc3C1)C2.
What is the InChIKey of [dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silyl]oxy-dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silane?
The InChIKey is QWULVWQUIHZDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N2O3Si2/c1-7-13-27-15-9-17-29-23-33(25-35-31(27)29)19-11-21-38(3,4)37-39(5,6)22-12-20-34-24-30-18-10-16-28(14-8-2)32(30)36-26-34/h7-10,15-18H,1-2,11-14,19-26H2,3-6H3.
What are the key properties of [dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silyl]oxy-dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silane?
[dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silyl]oxy-dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silane has a molecular weight of 564.92 g/mol, XLogP of 7.35, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silyl]oxy-dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silane is sourced from PubChem (CID 132934355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).