(8E)-2-diazocyclohexadec-8-en-1-one

C16H26N2O — CID 140893757

IUPAC(8E)-2-diazocyclohexadec-8-en-1-one
SMILES[N-]=[N+]=C1CCCCC/C=C/CCCCCCCC1=O
InChIInChI=1S/C16H26N2O/c17-18-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(15)19/h1,3H,2,4-14H2/b3-1+
InChIKeyFELFLHVZXFSSOA-HNQUOIGGSA-N
MW262.40 g/mol
LogP4.48
Rot. Bonds

About (8E)-2-diazocyclohexadec-8-en-1-one

(8E)-2-diazocyclohexadec-8-en-1-one (PubChem CID 140893757) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (8E)-2-diazocyclohexadec-8-en-1-one.

Molecular Properties

Compound Name(8E)-2-diazocyclohexadec-8-en-1-one
PubChem CID140893757
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(8E)-2-diazocyclohexadec-8-en-1-one
SMILES[N-]=[N+]=C1CCCCC/C=C/CCCCCCCC1=O
InChIInChI=1S/C16H26N2O/c17-18-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(15)19/h1,3H,2,4-14H2/b3-1+
InChIKeyFELFLHVZXFSSOA-HNQUOIGGSA-N
XLogP4.48
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

21,23-Didiazotritetraconta-6,9,12,15,28,31,34,37-octaen-22-one
CID 53901624
(Z)-19-diazononadec-10-en-2-one
CID 88173672
(8E)-16-diazocyclohexadec-8-en-1-one
CID 140893756
(8E)-16-iminocyclohexadec-8-en-1-one
CID 145054293
(8E)-2-iminocyclohexadec-8-en-1-one
CID 145054294
(Z)-3-diazoundec-5-en-2-one
CID 100939994
(7E,9E)-2-diazoundeca-7,9-dien-3-one
CID 137128758
2-Diazoundeca-7,9-dien-3-one
CID 137218728
16-Diazocyclohexadec-8-en-1-one
CID 157518814
2-Diazocyclohexadec-8-en-1-one
CID 157518815

Frequently Asked Questions

What is the IUPAC name of (8E)-2-diazocyclohexadec-8-en-1-one?
The IUPAC name of (8E)-2-diazocyclohexadec-8-en-1-one (CID 140893757) is (8E)-2-diazocyclohexadec-8-en-1-one.
What is the SMILES notation for (8E)-2-diazocyclohexadec-8-en-1-one?
The canonical SMILES for (8E)-2-diazocyclohexadec-8-en-1-one is [N-]=[N+]=C1CCCCC/C=C/CCCCCCCC1=O.
What is the InChIKey of (8E)-2-diazocyclohexadec-8-en-1-one?
The InChIKey is FELFLHVZXFSSOA-HNQUOIGGSA-N. The full InChI is InChI=1S/C16H26N2O/c17-18-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(15)19/h1,3H,2,4-14H2/b3-1+.
What are the key properties of (8E)-2-diazocyclohexadec-8-en-1-one?
(8E)-2-diazocyclohexadec-8-en-1-one has a molecular weight of 262.40 g/mol, XLogP of 4.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-2-diazocyclohexadec-8-en-1-one is sourced from PubChem (CID 140893757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).