cyclododecanone

C24H44O2 — CID 141308130

IUPACcyclododecanone
SMILESO=C1CCCCCCCCCCC1.O=C1CCCCCCCCCCC1
InChIInChI=1S/2C12H22O/c2*13-12-10-8-6-4-2-1-3-5-7-9-11-12/h2*1-11H2
InChIKeyHQPRHHMLHIIVFQ-UHFFFAOYSA-N
MW364.61 g/mol
LogP7.72
Rot. Bonds

About cyclododecanone

cyclododecanone (PubChem CID 141308130) has the molecular formula C24H44O2 and a molecular weight of 364.61 g/mol. Its IUPAC name is cyclododecanone.

Molecular Properties

Compound Namecyclododecanone
PubChem CID141308130
Molecular FormulaC24H44O2
Molecular Weight364.61 g/mol
Exact Mass364.33
IUPAC Namecyclododecanone
SMILESO=C1CCCCCCCCCCC1.O=C1CCCCCCCCCCC1
InChIInChI=1S/2C12H22O/c2*13-12-10-8-6-4-2-1-3-5-7-9-11-12/h2*1-11H2
InChIKeyHQPRHHMLHIIVFQ-UHFFFAOYSA-N
XLogP7.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.61
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclotricosanone
CID 54375596
azane;cyclononanone
CID 172719607
cyclohexane;cyclohexanone;sulfane
CID 175236228
cycloheptanone;cyclohexanone;cyclopentanone;ethane
CID 158721030
lithium;cyclohexanone;hydride
CID 173089649
CID 162230812
CID 162230812
azane;cyclohexanone;ethane
CID 174919946
cyclopentanone;sulfur monoxide
CID 70608857
cyclododecanone;2-methylpropane
CID 174689717
cycloheptanone;methanamine;hydrochloride
CID 160565670
cyclotetradecanone;N,N-dimethylmethanamine
CID 174611672
oxacyclohexadecan-8-one
CID 168890521

Frequently Asked Questions

What is the IUPAC name of cyclododecanone?
The IUPAC name of cyclododecanone (CID 141308130) is cyclododecanone.
What is the SMILES notation for cyclododecanone?
The canonical SMILES for cyclododecanone is O=C1CCCCCCCCCCC1.O=C1CCCCCCCCCCC1.
What is the InChIKey of cyclododecanone?
The InChIKey is HQPRHHMLHIIVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H22O/c2*13-12-10-8-6-4-2-1-3-5-7-9-11-12/h2*1-11H2.
What are the key properties of cyclododecanone?
cyclododecanone has a molecular weight of 364.61 g/mol, XLogP of 7.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecanone is sourced from PubChem (CID 141308130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).