(7-benzylimino-1-trimethylsilylhept-1-yn-3-yl) methyl carbonate

C19H27NO3Si — CID 20765101

IUPAC(7-benzylimino-1-trimethylsilylhept-1-yn-3-yl) methyl carbonate
SMILESCOC(=O)OC(C#C[Si](C)(C)C)CCC/C=N/Cc1ccccc1
InChIInChI=1S/C19H27NO3Si/c1-22-19(21)23-18(13-15-24(2,3)4)12-8-9-14-20-16-17-10-6-5-7-11-17/h5-7,10-11,14,18H,8-9,12,16H2,1-4H3/b20-14+
InChIKeyNAEVIFZERLKCOD-XSFVSMFZSA-N
MW345.52 g/mol
LogP4.46
Rot. Bonds7

About (7-benzylimino-1-trimethylsilylhept-1-yn-3-yl) methyl carbonate

(7-benzylimino-1-trimethylsilylhept-1-yn-3-yl) methyl carbonate (PubChem CID 20765101) has the molecular formula C19H27NO3Si and a molecular weight of 345.52 g/mol. Its IUPAC name is (7-benzylimino-1-trimethylsilylhept-1-yn-3-yl) methyl carbonate.

Molecular Properties

Compound Name(7-benzylimino-1-trimethylsilylhept-1-yn-3-yl) methyl carbonate
PubChem CID20765101
Molecular FormulaC19H27NO3Si
Molecular Weight345.52 g/mol
Exact Mass345.18
IUPAC Name(7-benzylimino-1-trimethylsilylhept-1-yn-3-yl) methyl carbonate
SMILESCOC(=O)OC(C#C[Si](C)(C)C)CCC/C=N/Cc1ccccc1
InChIInChI=1S/C19H27NO3Si/c1-22-19(21)23-18(13-15-24(2,3)4)12-8-9-14-20-16-17-10-6-5-7-11-17/h5-7,10-11,14,18H,8-9,12,16H2,1-4H3/b20-14+
InChIKeyNAEVIFZERLKCOD-XSFVSMFZSA-N
XLogP4.46
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (7-benzylimino-1-trimethylsilylhept-1-yn-3-yl) methyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-benzylimino-1-trimethylsilylhept-1-yn-3-yl) methyl carbonate?
The IUPAC name of (7-benzylimino-1-trimethylsilylhept-1-yn-3-yl) methyl carbonate (CID 20765101) is (7-benzylimino-1-trimethylsilylhept-1-yn-3-yl) methyl carbonate.
What is the SMILES notation for (7-benzylimino-1-trimethylsilylhept-1-yn-3-yl) methyl carbonate?
The canonical SMILES for (7-benzylimino-1-trimethylsilylhept-1-yn-3-yl) methyl carbonate is COC(=O)OC(C#C[Si](C)(C)C)CCC/C=N/Cc1ccccc1.
What is the InChIKey of (7-benzylimino-1-trimethylsilylhept-1-yn-3-yl) methyl carbonate?
The InChIKey is NAEVIFZERLKCOD-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H27NO3Si/c1-22-19(21)23-18(13-15-24(2,3)4)12-8-9-14-20-16-17-10-6-5-7-11-17/h5-7,10-11,14,18H,8-9,12,16H2,1-4H3/b20-14+.
What are the key properties of (7-benzylimino-1-trimethylsilylhept-1-yn-3-yl) methyl carbonate?
(7-benzylimino-1-trimethylsilylhept-1-yn-3-yl) methyl carbonate has a molecular weight of 345.52 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-benzylimino-1-trimethylsilylhept-1-yn-3-yl) methyl carbonate is sourced from PubChem (CID 20765101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).