10-(3-iminobutanoyloxy)decyl 3-iminobutanoate

C18H32N2O4 — CID 125470060

IUPAC10-(3-iminobutanoyloxy)decyl 3-iminobutanoate
SMILES[H]/N=C(\C)CC(=O)OCCCCCCCCCCOC(=O)C/C(C)=N/[H]
InChIInChI=1S/C18H32N2O4/c1-15(19)13-17(21)23-11-9-7-5-3-4-6-8-10-12-24-18(22)14-16(2)20/h19-20H,3-14H2,1-2H3/b19-15+,20-16+
InChIKeyHIIUYMLQSXSTSL-MXWIWYRXSA-N
MW340.46 g/mol
LogP4.05
Rot. Bonds15

About 10-(3-iminobutanoyloxy)decyl 3-iminobutanoate

10-(3-iminobutanoyloxy)decyl 3-iminobutanoate (PubChem CID 125470060) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is 10-(3-iminobutanoyloxy)decyl 3-iminobutanoate.

Molecular Properties

Compound Name10-(3-iminobutanoyloxy)decyl 3-iminobutanoate
PubChem CID125470060
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Name10-(3-iminobutanoyloxy)decyl 3-iminobutanoate
SMILES[H]/N=C(\C)CC(=O)OCCCCCCCCCCOC(=O)C/C(C)=N/[H]
InChIInChI=1S/C18H32N2O4/c1-15(19)13-17(21)23-11-9-7-5-3-4-6-8-10-12-24-18(22)14-16(2)20/h19-20H,3-14H2,1-2H3/b19-15+,20-16+
InChIKeyHIIUYMLQSXSTSL-MXWIWYRXSA-N
XLogP4.05
TPSA100.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(3-iminobutanoyloxy)decyl 3-iminobutanoate?
The IUPAC name of 10-(3-iminobutanoyloxy)decyl 3-iminobutanoate (CID 125470060) is 10-(3-iminobutanoyloxy)decyl 3-iminobutanoate.
What is the SMILES notation for 10-(3-iminobutanoyloxy)decyl 3-iminobutanoate?
The canonical SMILES for 10-(3-iminobutanoyloxy)decyl 3-iminobutanoate is [H]/N=C(\C)CC(=O)OCCCCCCCCCCOC(=O)C/C(C)=N/[H].
What is the InChIKey of 10-(3-iminobutanoyloxy)decyl 3-iminobutanoate?
The InChIKey is HIIUYMLQSXSTSL-MXWIWYRXSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-15(19)13-17(21)23-11-9-7-5-3-4-6-8-10-12-24-18(22)14-16(2)20/h19-20H,3-14H2,1-2H3/b19-15+,20-16+.
What are the key properties of 10-(3-iminobutanoyloxy)decyl 3-iminobutanoate?
10-(3-iminobutanoyloxy)decyl 3-iminobutanoate has a molecular weight of 340.46 g/mol, XLogP of 4.05, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-iminobutanoyloxy)decyl 3-iminobutanoate is sourced from PubChem (CID 125470060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).