10-oxo-10-(2-oxocyclohexyl)decanal

C16H26O3 — CID 174998871

IUPAC10-oxo-10-(2-oxocyclohexyl)decanal
SMILESO=CCCCCCCCCC(=O)C1CCCCC1=O
InChIInChI=1S/C16H26O3/c17-13-9-5-3-1-2-4-6-11-15(18)14-10-7-8-12-16(14)19/h13-14H,1-12H2
InChIKeyYNQYQHIVBCNAJA-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.63
Rot. Bonds10

About 10-oxo-10-(2-oxocyclohexyl)decanal

10-oxo-10-(2-oxocyclohexyl)decanal (PubChem CID 174998871) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 10-oxo-10-(2-oxocyclohexyl)decanal.

Molecular Properties

Compound Name10-oxo-10-(2-oxocyclohexyl)decanal
PubChem CID174998871
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name10-oxo-10-(2-oxocyclohexyl)decanal
SMILESO=CCCCCCCCCC(=O)C1CCCCC1=O
InChIInChI=1S/C16H26O3/c17-13-9-5-3-1-2-4-6-11-15(18)14-10-7-8-12-16(14)19/h13-14H,1-12H2
InChIKeyYNQYQHIVBCNAJA-UHFFFAOYSA-N
XLogP3.63
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-oxo-10-(2-oxocyclohexyl)decanal?
The IUPAC name of 10-oxo-10-(2-oxocyclohexyl)decanal (CID 174998871) is 10-oxo-10-(2-oxocyclohexyl)decanal.
What is the SMILES notation for 10-oxo-10-(2-oxocyclohexyl)decanal?
The canonical SMILES for 10-oxo-10-(2-oxocyclohexyl)decanal is O=CCCCCCCCCC(=O)C1CCCCC1=O.
What is the InChIKey of 10-oxo-10-(2-oxocyclohexyl)decanal?
The InChIKey is YNQYQHIVBCNAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c17-13-9-5-3-1-2-4-6-11-15(18)14-10-7-8-12-16(14)19/h13-14H,1-12H2.
What are the key properties of 10-oxo-10-(2-oxocyclohexyl)decanal?
10-oxo-10-(2-oxocyclohexyl)decanal has a molecular weight of 266.38 g/mol, XLogP of 3.63, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-10-(2-oxocyclohexyl)decanal is sourced from PubChem (CID 174998871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).