1-[(1S)-2-oxocyclohexyl]-10-[(1R)-2-oxocyclohexyl]decane-1,10-dione

C22H34O4 — CID 92840383

IUPAC1-[(1S)-2-oxocyclohexyl]-10-[(1R)-2-oxocyclohexyl]decane-1,10-dione
SMILESO=C(CCCCCCCCC(=O)[C@@H]1CCCCC1=O)[C@H]1CCCCC1=O
InChIInChI=1S/C22H34O4/c23-19(17-11-7-9-15-21(17)25)13-5-3-1-2-4-6-14-20(24)18-12-8-10-16-22(18)26/h17-18H,1-16H2/t17-,18+
InChIKeyRAOXNINWQAFWNG-HDICACEKSA-N
MW362.51 g/mol
LogP4.76
Rot. Bonds11

About 1-[(1S)-2-oxocyclohexyl]-10-[(1R)-2-oxocyclohexyl]decane-1,10-dione

1-[(1S)-2-oxocyclohexyl]-10-[(1R)-2-oxocyclohexyl]decane-1,10-dione (PubChem CID 92840383) has the molecular formula C22H34O4 and a molecular weight of 362.51 g/mol. Its IUPAC name is 1-[(1S)-2-oxocyclohexyl]-10-[(1R)-2-oxocyclohexyl]decane-1,10-dione.

Molecular Properties

Compound Name1-[(1S)-2-oxocyclohexyl]-10-[(1R)-2-oxocyclohexyl]decane-1,10-dione
PubChem CID92840383
Molecular FormulaC22H34O4
Molecular Weight362.51 g/mol
Exact Mass362.25
IUPAC Name1-[(1S)-2-oxocyclohexyl]-10-[(1R)-2-oxocyclohexyl]decane-1,10-dione
SMILESO=C(CCCCCCCCC(=O)[C@@H]1CCCCC1=O)[C@H]1CCCCC1=O
InChIInChI=1S/C22H34O4/c23-19(17-11-7-9-15-21(17)25)13-5-3-1-2-4-6-14-20(24)18-12-8-10-16-22(18)26/h17-18H,1-16H2/t17-,18+
InChIKeyRAOXNINWQAFWNG-HDICACEKSA-N
XLogP4.76
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,6-bis(2-oxocyclohexyl)hexane-1,6-dione
CID 154092902
10-oxo-10-(2-oxocyclohexyl)decanal
CID 174998871
2-tridecanoylcyclopentan-1-one
CID 59066894
2-(4-nitrobutanoyl)cyclohexan-1-one
CID 580354
2-oxocyclohexane-1-carboxylic acid;zirconium
CID 175193773
2-oxocyclodecane-1-carboxylic acid
CID 123244832
2-hept-1-en-2-ylcyclohexan-1-one
CID 11790095
2-acetylcyclododecan-1-one
CID 4255606
2-oxocyclohexane-1-carbohydrazide
CID 45084441
(2S)-2-(2,2,2-trifluoroacetyl)cycloheptan-1-one
CID 98060988
2-amino-7-[7-oxo-7-(2-oxocyclohexyl)heptyl]-1H-purin-6-one
CID 137211616
2-amino-7-[9-oxo-9-(2-oxocyclohexyl)nonyl]-1H-purin-6-one
CID 137176217

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-oxocyclohexyl]-10-[(1R)-2-oxocyclohexyl]decane-1,10-dione?
The IUPAC name of 1-[(1S)-2-oxocyclohexyl]-10-[(1R)-2-oxocyclohexyl]decane-1,10-dione (CID 92840383) is 1-[(1S)-2-oxocyclohexyl]-10-[(1R)-2-oxocyclohexyl]decane-1,10-dione.
What is the SMILES notation for 1-[(1S)-2-oxocyclohexyl]-10-[(1R)-2-oxocyclohexyl]decane-1,10-dione?
The canonical SMILES for 1-[(1S)-2-oxocyclohexyl]-10-[(1R)-2-oxocyclohexyl]decane-1,10-dione is O=C(CCCCCCCCC(=O)[C@@H]1CCCCC1=O)[C@H]1CCCCC1=O.
What is the InChIKey of 1-[(1S)-2-oxocyclohexyl]-10-[(1R)-2-oxocyclohexyl]decane-1,10-dione?
The InChIKey is RAOXNINWQAFWNG-HDICACEKSA-N. The full InChI is InChI=1S/C22H34O4/c23-19(17-11-7-9-15-21(17)25)13-5-3-1-2-4-6-14-20(24)18-12-8-10-16-22(18)26/h17-18H,1-16H2/t17-,18+.
What are the key properties of 1-[(1S)-2-oxocyclohexyl]-10-[(1R)-2-oxocyclohexyl]decane-1,10-dione?
1-[(1S)-2-oxocyclohexyl]-10-[(1R)-2-oxocyclohexyl]decane-1,10-dione has a molecular weight of 362.51 g/mol, XLogP of 4.76, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-oxocyclohexyl]-10-[(1R)-2-oxocyclohexyl]decane-1,10-dione is sourced from PubChem (CID 92840383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).