amino 10-(4-chlorophenoxy)-10-methyl-9-oxoundecanoate

C18H26ClNO4 — CID 68536826

IUPACamino 10-(4-chlorophenoxy)-10-methyl-9-oxoundecanoate
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)CCCCCCCC(=O)ON
InChIInChI=1S/C18H26ClNO4/c1-18(2,23-15-12-10-14(19)11-13-15)16(21)8-6-4-3-5-7-9-17(22)24-20/h10-13H,3-9,20H2,1-2H3
InChIKeyJQUWWKXGDUYEKW-UHFFFAOYSA-N
MW355.86 g/mol
LogP4.21
Rot. Bonds11

About amino 10-(4-chlorophenoxy)-10-methyl-9-oxoundecanoate

amino 10-(4-chlorophenoxy)-10-methyl-9-oxoundecanoate (PubChem CID 68536826) has the molecular formula C18H26ClNO4 and a molecular weight of 355.86 g/mol. Its IUPAC name is amino 10-(4-chlorophenoxy)-10-methyl-9-oxoundecanoate.

Molecular Properties

Compound Nameamino 10-(4-chlorophenoxy)-10-methyl-9-oxoundecanoate
PubChem CID68536826
Molecular FormulaC18H26ClNO4
Molecular Weight355.86 g/mol
Exact Mass355.16
IUPAC Nameamino 10-(4-chlorophenoxy)-10-methyl-9-oxoundecanoate
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)CCCCCCCC(=O)ON
InChIInChI=1S/C18H26ClNO4/c1-18(2,23-15-12-10-14(19)11-13-15)16(21)8-6-4-3-5-7-9-17(22)24-20/h10-13H,3-9,20H2,1-2H3
InChIKeyJQUWWKXGDUYEKW-UHFFFAOYSA-N
XLogP4.21
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.86
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino 10-(4-chlorophenoxy)-10-methyl-9-oxoundecanoate?
The IUPAC name of amino 10-(4-chlorophenoxy)-10-methyl-9-oxoundecanoate (CID 68536826) is amino 10-(4-chlorophenoxy)-10-methyl-9-oxoundecanoate.
What is the SMILES notation for amino 10-(4-chlorophenoxy)-10-methyl-9-oxoundecanoate?
The canonical SMILES for amino 10-(4-chlorophenoxy)-10-methyl-9-oxoundecanoate is CC(C)(Oc1ccc(Cl)cc1)C(=O)CCCCCCCC(=O)ON.
What is the InChIKey of amino 10-(4-chlorophenoxy)-10-methyl-9-oxoundecanoate?
The InChIKey is JQUWWKXGDUYEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO4/c1-18(2,23-15-12-10-14(19)11-13-15)16(21)8-6-4-3-5-7-9-17(22)24-20/h10-13H,3-9,20H2,1-2H3.
What are the key properties of amino 10-(4-chlorophenoxy)-10-methyl-9-oxoundecanoate?
amino 10-(4-chlorophenoxy)-10-methyl-9-oxoundecanoate has a molecular weight of 355.86 g/mol, XLogP of 4.21, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino 10-(4-chlorophenoxy)-10-methyl-9-oxoundecanoate is sourced from PubChem (CID 68536826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).