N-[(E,3R)-1,6-diphenylhex-4-en-3-yl]-2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide

C31H44F3NO2Si — CID 139250998

IUPACN-[(E,3R)-1,6-diphenylhex-4-en-3-yl]-2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide
SMILESCC(C)[Si](OCCN(C(=O)C(F)(F)F)[C@@H](/C=C/Cc1ccccc1)CCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C31H44F3NO2Si/c1-24(2)38(25(3)4,26(5)6)37-23-22-35(30(36)31(32,33)34)29(21-20-28-16-11-8-12-17-28)19-13-18-27-14-9-7-10-15-27/h7-17,19,24-26,29H,18,20-23H2,1-6H3/b19-13+/t29-/m0/s1
InChIKeyGHRNHFCVRVDTRS-SSQLKXLMSA-N
MW547.78 g/mol
LogP8.37
Rot. Bonds14

About N-[(E,3R)-1,6-diphenylhex-4-en-3-yl]-2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide

N-[(E,3R)-1,6-diphenylhex-4-en-3-yl]-2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide (PubChem CID 139250998) has the molecular formula C31H44F3NO2Si and a molecular weight of 547.78 g/mol. Its IUPAC name is N-[(E,3R)-1,6-diphenylhex-4-en-3-yl]-2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide.

Molecular Properties

Compound NameN-[(E,3R)-1,6-diphenylhex-4-en-3-yl]-2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide
PubChem CID139250998
Molecular FormulaC31H44F3NO2Si
Molecular Weight547.78 g/mol
Exact Mass547.31
IUPAC NameN-[(E,3R)-1,6-diphenylhex-4-en-3-yl]-2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide
SMILESCC(C)[Si](OCCN(C(=O)C(F)(F)F)[C@@H](/C=C/Cc1ccccc1)CCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C31H44F3NO2Si/c1-24(2)38(25(3)4,26(5)6)37-23-22-35(30(36)31(32,33)34)29(21-20-28-16-11-8-12-17-28)19-13-18-27-14-9-7-10-15-27/h7-17,19,24-26,29H,18,20-23H2,1-6H3/b19-13+/t29-/m0/s1
InChIKeyGHRNHFCVRVDTRS-SSQLKXLMSA-N
XLogP8.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.78
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-[(E,3R)-1,6-diphenylhex-4-en-3-yl]-2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide?
The IUPAC name of N-[(E,3R)-1,6-diphenylhex-4-en-3-yl]-2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide (CID 139250998) is N-[(E,3R)-1,6-diphenylhex-4-en-3-yl]-2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide.
What is the SMILES notation for N-[(E,3R)-1,6-diphenylhex-4-en-3-yl]-2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide?
The canonical SMILES for N-[(E,3R)-1,6-diphenylhex-4-en-3-yl]-2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide is CC(C)[Si](OCCN(C(=O)C(F)(F)F)[C@@H](/C=C/Cc1ccccc1)CCc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of N-[(E,3R)-1,6-diphenylhex-4-en-3-yl]-2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide?
The InChIKey is GHRNHFCVRVDTRS-SSQLKXLMSA-N. The full InChI is InChI=1S/C31H44F3NO2Si/c1-24(2)38(25(3)4,26(5)6)37-23-22-35(30(36)31(32,33)34)29(21-20-28-16-11-8-12-17-28)19-13-18-27-14-9-7-10-15-27/h7-17,19,24-26,29H,18,20-23H2,1-6H3/b19-13+/t29-/m0/s1.
What are the key properties of N-[(E,3R)-1,6-diphenylhex-4-en-3-yl]-2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide?
N-[(E,3R)-1,6-diphenylhex-4-en-3-yl]-2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide has a molecular weight of 547.78 g/mol, XLogP of 8.37, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,3R)-1,6-diphenylhex-4-en-3-yl]-2,2,2-trifluoro-N-[2-tri(propan-2-yl)silyloxyethyl]acetamide is sourced from PubChem (CID 139250998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).