1-cyclopentadec-7-en-1-ylethanone;1-cyclopentadec-8-en-1-ylethanone;2-diazocyclohexadec-8-en-1-one;16-diazocyclohexadec-8-en-1-one

C66H112N4O4 — CID 161178366

IUPAC1-cyclopentadec-7-en-1-ylethanone;1-cyclopentadec-8-en-1-ylethanone;2-diazocyclohexadec-8-en-1-one;16-diazocyclohexadec-8-en-1-one
SMILESCC(=O)C1CCCCCC=CCCCCCCC1.CC(=O)C1CCCCCCC=CCCCCCC1.[N-]=[N+]=C1CCCCCC=CCCCCCCCC1=O.[N-]=[N+]=C1CCCCCCC=CCCCCCCC1=O
InChIInChI=1S/2C17H30O.2C16H26N2O/c2*1-16(18)17-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17;2*17-18-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(15)19/h2,4,17H,3,5-15H2,1H3;2-3,17H,4-15H2,1H3;1,3H,2,4-14H2;1-2H,3-14H2
InChIKeyUSCQEXUAELVURG-UHFFFAOYSA-N
MW1025.65 g/mol
LogP19.84
Rot. Bonds2

About 1-cyclopentadec-7-en-1-ylethanone;1-cyclopentadec-8-en-1-ylethanone;2-diazocyclohexadec-8-en-1-one;16-diazocyclohexadec-8-en-1-one

1-cyclopentadec-7-en-1-ylethanone;1-cyclopentadec-8-en-1-ylethanone;2-diazocyclohexadec-8-en-1-one;16-diazocyclohexadec-8-en-1-one (PubChem CID 161178366) has the molecular formula C66H112N4O4 and a molecular weight of 1025.65 g/mol. Its IUPAC name is 1-cyclopentadec-7-en-1-ylethanone;1-cyclopentadec-8-en-1-ylethanone;2-diazocyclohexadec-8-en-1-one;16-diazocyclohexadec-8-en-1-one.

Molecular Properties

Compound Name1-cyclopentadec-7-en-1-ylethanone;1-cyclopentadec-8-en-1-ylethanone;2-diazocyclohexadec-8-en-1-one;16-diazocyclohexadec-8-en-1-one
PubChem CID161178366
Molecular FormulaC66H112N4O4
Molecular Weight1025.65 g/mol
Exact Mass1024.87
IUPAC Name1-cyclopentadec-7-en-1-ylethanone;1-cyclopentadec-8-en-1-ylethanone;2-diazocyclohexadec-8-en-1-one;16-diazocyclohexadec-8-en-1-one
SMILESCC(=O)C1CCCCCC=CCCCCCCC1.CC(=O)C1CCCCCCC=CCCCCCC1.[N-]=[N+]=C1CCCCCC=CCCCCCCCC1=O.[N-]=[N+]=C1CCCCCCC=CCCCCCCC1=O
InChIInChI=1S/2C17H30O.2C16H26N2O/c2*1-16(18)17-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17;2*17-18-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(15)19/h2,4,17H,3,5-15H2,1H3;2-3,17H,4-15H2,1H3;1,3H,2,4-14H2;1-2H,3-14H2
InChIKeyUSCQEXUAELVURG-UHFFFAOYSA-N
XLogP19.84
TPSA141.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.65
LogP ≤ 519.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentadec-7-en-1-ylethanone;1-cyclopentadec-8-en-1-ylethanone;2-diazocyclohexadec-8-en-1-one;16-diazocyclohexadec-8-en-1-one?
The IUPAC name of 1-cyclopentadec-7-en-1-ylethanone;1-cyclopentadec-8-en-1-ylethanone;2-diazocyclohexadec-8-en-1-one;16-diazocyclohexadec-8-en-1-one (CID 161178366) is 1-cyclopentadec-7-en-1-ylethanone;1-cyclopentadec-8-en-1-ylethanone;2-diazocyclohexadec-8-en-1-one;16-diazocyclohexadec-8-en-1-one.
What is the SMILES notation for 1-cyclopentadec-7-en-1-ylethanone;1-cyclopentadec-8-en-1-ylethanone;2-diazocyclohexadec-8-en-1-one;16-diazocyclohexadec-8-en-1-one?
The canonical SMILES for 1-cyclopentadec-7-en-1-ylethanone;1-cyclopentadec-8-en-1-ylethanone;2-diazocyclohexadec-8-en-1-one;16-diazocyclohexadec-8-en-1-one is CC(=O)C1CCCCCC=CCCCCCCC1.CC(=O)C1CCCCCCC=CCCCCCC1.[N-]=[N+]=C1CCCCCC=CCCCCCCCC1=O.[N-]=[N+]=C1CCCCCCC=CCCCCCCC1=O.
What is the InChIKey of 1-cyclopentadec-7-en-1-ylethanone;1-cyclopentadec-8-en-1-ylethanone;2-diazocyclohexadec-8-en-1-one;16-diazocyclohexadec-8-en-1-one?
The InChIKey is USCQEXUAELVURG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H30O.2C16H26N2O/c2*1-16(18)17-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17;2*17-18-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(15)19/h2,4,17H,3,5-15H2,1H3;2-3,17H,4-15H2,1H3;1,3H,2,4-14H2;1-2H,3-14H2.
What are the key properties of 1-cyclopentadec-7-en-1-ylethanone;1-cyclopentadec-8-en-1-ylethanone;2-diazocyclohexadec-8-en-1-one;16-diazocyclohexadec-8-en-1-one?
1-cyclopentadec-7-en-1-ylethanone;1-cyclopentadec-8-en-1-ylethanone;2-diazocyclohexadec-8-en-1-one;16-diazocyclohexadec-8-en-1-one has a molecular weight of 1025.65 g/mol, XLogP of 19.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentadec-7-en-1-ylethanone;1-cyclopentadec-8-en-1-ylethanone;2-diazocyclohexadec-8-en-1-one;16-diazocyclohexadec-8-en-1-one is sourced from PubChem (CID 161178366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).