nitroso 2-benzhydrylidenedecanoate

C23H27NO3 — CID 174433360

IUPACnitroso 2-benzhydrylidenedecanoate
SMILESCCCCCCCCC(C(=O)ON=O)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27NO3/c1-2-3-4-5-6-13-18-21(23(25)27-24-26)22(19-14-9-7-10-15-19)20-16-11-8-12-17-20/h7-12,14-17H,2-6,13,18H2,1H3
InChIKeyWSXAJJRWJUTZQD-UHFFFAOYSA-N
MW365.47 g/mol
LogP6.46
Rot. Bonds11

About nitroso 2-benzhydrylidenedecanoate

nitroso 2-benzhydrylidenedecanoate (PubChem CID 174433360) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is nitroso 2-benzhydrylidenedecanoate.

Molecular Properties

Compound Namenitroso 2-benzhydrylidenedecanoate
PubChem CID174433360
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Namenitroso 2-benzhydrylidenedecanoate
SMILESCCCCCCCCC(C(=O)ON=O)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27NO3/c1-2-3-4-5-6-13-18-21(23(25)27-24-26)22(19-14-9-7-10-15-19)20-16-11-8-12-17-20/h7-12,14-17H,2-6,13,18H2,1H3
InChIKeyWSXAJJRWJUTZQD-UHFFFAOYSA-N
XLogP6.46
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-benzhydrylidenedecanoic acid
CID 174668181
hexadecanoyl benzoate
CID 57040691
octanoyl benzoate
CID 15556056
2-[hydroxy(phenyl)methylidene]heptanoic acid
CID 70376341
hexyl 2-benzhydrylidenebutanoate
CID 174388125
non-1-en-2-yl benzoate
CID 18421349
1-phenylheptadecan-1-one
CID 577626
[(E)-(1-oxo-1-phenyloctan-2-ylidene)amino] benzoate
CID 164704501
methyl benzoate;undecan-6-one
CID 174958584
dialuminum;tris(octadecanoate);tribenzoate
CID 18366499
2-methoxy-3-phenylundec-2-enoic acid
CID 54315676
(2-methyl-1-phenylhept-1-enyl)benzene
CID 173231724

Frequently Asked Questions

What is the IUPAC name of nitroso 2-benzhydrylidenedecanoate?
The IUPAC name of nitroso 2-benzhydrylidenedecanoate (CID 174433360) is nitroso 2-benzhydrylidenedecanoate.
What is the SMILES notation for nitroso 2-benzhydrylidenedecanoate?
The canonical SMILES for nitroso 2-benzhydrylidenedecanoate is CCCCCCCCC(C(=O)ON=O)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of nitroso 2-benzhydrylidenedecanoate?
The InChIKey is WSXAJJRWJUTZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-2-3-4-5-6-13-18-21(23(25)27-24-26)22(19-14-9-7-10-15-19)20-16-11-8-12-17-20/h7-12,14-17H,2-6,13,18H2,1H3.
What are the key properties of nitroso 2-benzhydrylidenedecanoate?
nitroso 2-benzhydrylidenedecanoate has a molecular weight of 365.47 g/mol, XLogP of 6.46, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitroso 2-benzhydrylidenedecanoate is sourced from PubChem (CID 174433360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).