methyl N-[(E)-7-hydroxy-1-trityloxyhept-5-en-2-yl]-N-(trimethylsilylmethyl)carbamate

C32H41NO4Si — CID 10973464

IUPACmethyl N-[(E)-7-hydroxy-1-trityloxyhept-5-en-2-yl]-N-(trimethylsilylmethyl)carbamate
SMILESCOC(=O)N(C[Si](C)(C)C)C(CC/C=C/CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H41NO4Si/c1-36-31(35)33(26-38(2,3)4)30(23-15-8-16-24-34)25-37-32(27-17-9-5-10-18-27,28-19-11-6-12-20-28)29-21-13-7-14-22-29/h5-14,16-22,30,34H,15,23-26H2,1-4H3/b16-8+
InChIKeyIURQQMLQZLHRDI-LZYBPNLTSA-N
MW531.77 g/mol
LogP6.64
Rot. Bonds13

About methyl N-[(E)-7-hydroxy-1-trityloxyhept-5-en-2-yl]-N-(trimethylsilylmethyl)carbamate

methyl N-[(E)-7-hydroxy-1-trityloxyhept-5-en-2-yl]-N-(trimethylsilylmethyl)carbamate (PubChem CID 10973464) has the molecular formula C32H41NO4Si and a molecular weight of 531.77 g/mol. Its IUPAC name is methyl N-[(E)-7-hydroxy-1-trityloxyhept-5-en-2-yl]-N-(trimethylsilylmethyl)carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-7-hydroxy-1-trityloxyhept-5-en-2-yl]-N-(trimethylsilylmethyl)carbamate
PubChem CID10973464
Molecular FormulaC32H41NO4Si
Molecular Weight531.77 g/mol
Exact Mass531.28
IUPAC Namemethyl N-[(E)-7-hydroxy-1-trityloxyhept-5-en-2-yl]-N-(trimethylsilylmethyl)carbamate
SMILESCOC(=O)N(C[Si](C)(C)C)C(CC/C=C/CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H41NO4Si/c1-36-31(35)33(26-38(2,3)4)30(23-15-8-16-24-34)25-37-32(27-17-9-5-10-18-27,28-19-11-6-12-20-28)29-21-13-7-14-22-29/h5-14,16-22,30,34H,15,23-26H2,1-4H3/b16-8+
InChIKeyIURQQMLQZLHRDI-LZYBPNLTSA-N
XLogP6.64
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.77
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-7-hydroxy-1-trityloxyhept-5-en-2-yl]-N-(trimethylsilylmethyl)carbamate?
The IUPAC name of methyl N-[(E)-7-hydroxy-1-trityloxyhept-5-en-2-yl]-N-(trimethylsilylmethyl)carbamate (CID 10973464) is methyl N-[(E)-7-hydroxy-1-trityloxyhept-5-en-2-yl]-N-(trimethylsilylmethyl)carbamate.
What is the SMILES notation for methyl N-[(E)-7-hydroxy-1-trityloxyhept-5-en-2-yl]-N-(trimethylsilylmethyl)carbamate?
The canonical SMILES for methyl N-[(E)-7-hydroxy-1-trityloxyhept-5-en-2-yl]-N-(trimethylsilylmethyl)carbamate is COC(=O)N(C[Si](C)(C)C)C(CC/C=C/CO)COC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl N-[(E)-7-hydroxy-1-trityloxyhept-5-en-2-yl]-N-(trimethylsilylmethyl)carbamate?
The InChIKey is IURQQMLQZLHRDI-LZYBPNLTSA-N. The full InChI is InChI=1S/C32H41NO4Si/c1-36-31(35)33(26-38(2,3)4)30(23-15-8-16-24-34)25-37-32(27-17-9-5-10-18-27,28-19-11-6-12-20-28)29-21-13-7-14-22-29/h5-14,16-22,30,34H,15,23-26H2,1-4H3/b16-8+.
What are the key properties of methyl N-[(E)-7-hydroxy-1-trityloxyhept-5-en-2-yl]-N-(trimethylsilylmethyl)carbamate?
methyl N-[(E)-7-hydroxy-1-trityloxyhept-5-en-2-yl]-N-(trimethylsilylmethyl)carbamate has a molecular weight of 531.77 g/mol, XLogP of 6.64, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-7-hydroxy-1-trityloxyhept-5-en-2-yl]-N-(trimethylsilylmethyl)carbamate is sourced from PubChem (CID 10973464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).