ethyl (1R)-2-[hydroperoxy(2-trimethylsilylethyl)carbamoyl]-1-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate

C19H29NO6Si — CID 59978406

IUPACethyl (1R)-2-[hydroperoxy(2-trimethylsilylethyl)carbamoyl]-1-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@]1(Cc2ccc(O)cc2)CC1C(=O)N(CC[Si](C)(C)C)OO
InChIInChI=1S/C19H29NO6Si/c1-5-25-18(23)19(12-14-6-8-15(21)9-7-14)13-16(19)17(22)20(26-24)10-11-27(2,3)4/h6-9,16,21,24H,5,10-13H2,1-4H3/t16?,19-/m0/s1
InChIKeyWWOYKUYHDPVHCG-CVMIBEPCSA-N
MW395.53 g/mol
LogP3.08
Rot. Bonds9

About ethyl (1R)-2-[hydroperoxy(2-trimethylsilylethyl)carbamoyl]-1-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate

ethyl (1R)-2-[hydroperoxy(2-trimethylsilylethyl)carbamoyl]-1-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate (PubChem CID 59978406) has the molecular formula C19H29NO6Si and a molecular weight of 395.53 g/mol. Its IUPAC name is ethyl (1R)-2-[hydroperoxy(2-trimethylsilylethyl)carbamoyl]-1-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R)-2-[hydroperoxy(2-trimethylsilylethyl)carbamoyl]-1-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate
PubChem CID59978406
Molecular FormulaC19H29NO6Si
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Nameethyl (1R)-2-[hydroperoxy(2-trimethylsilylethyl)carbamoyl]-1-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@]1(Cc2ccc(O)cc2)CC1C(=O)N(CC[Si](C)(C)C)OO
InChIInChI=1S/C19H29NO6Si/c1-5-25-18(23)19(12-14-6-8-15(21)9-7-14)13-16(19)17(22)20(26-24)10-11-27(2,3)4/h6-9,16,21,24H,5,10-13H2,1-4H3/t16?,19-/m0/s1
InChIKeyWWOYKUYHDPVHCG-CVMIBEPCSA-N
XLogP3.08
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (1R)-2-[hydroperoxy(2-trimethylsilylethyl)carbamoyl]-1-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl (1R)-2-[hydroperoxy(2-trimethylsilylethyl)carbamoyl]-1-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate (CID 59978406) is ethyl (1R)-2-[hydroperoxy(2-trimethylsilylethyl)carbamoyl]-1-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl (1R)-2-[hydroperoxy(2-trimethylsilylethyl)carbamoyl]-1-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl (1R)-2-[hydroperoxy(2-trimethylsilylethyl)carbamoyl]-1-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate is CCOC(=O)[C@@]1(Cc2ccc(O)cc2)CC1C(=O)N(CC[Si](C)(C)C)OO.
What is the InChIKey of ethyl (1R)-2-[hydroperoxy(2-trimethylsilylethyl)carbamoyl]-1-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate?
The InChIKey is WWOYKUYHDPVHCG-CVMIBEPCSA-N. The full InChI is InChI=1S/C19H29NO6Si/c1-5-25-18(23)19(12-14-6-8-15(21)9-7-14)13-16(19)17(22)20(26-24)10-11-27(2,3)4/h6-9,16,21,24H,5,10-13H2,1-4H3/t16?,19-/m0/s1.
What are the key properties of ethyl (1R)-2-[hydroperoxy(2-trimethylsilylethyl)carbamoyl]-1-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate?
ethyl (1R)-2-[hydroperoxy(2-trimethylsilylethyl)carbamoyl]-1-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate has a molecular weight of 395.53 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R)-2-[hydroperoxy(2-trimethylsilylethyl)carbamoyl]-1-[(4-hydroxyphenyl)methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 59978406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).