cyclododecanone

C12H22O — CID 13246

IUPACcyclododecanone
SMILESO=C1CCCCCCCCCCC1
InChIInChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2
InChIKeySXVPOSFURRDKBO-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.86
Rot. Bonds

About cyclododecanone

cyclododecanone (PubChem CID 13246) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is cyclododecanone.

Molecular Properties

Compound Namecyclododecanone
PubChem CID13246
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Namecyclododecanone
SMILESO=C1CCCCCCCCCCC1
InChIInChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2
InChIKeySXVPOSFURRDKBO-UHFFFAOYSA-N
XLogP3.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclododecanone?
The IUPAC name of cyclododecanone (CID 13246) is cyclododecanone.
What is the SMILES notation for cyclododecanone?
The canonical SMILES for cyclododecanone is O=C1CCCCCCCCCCC1.
What is the InChIKey of cyclododecanone?
The InChIKey is SXVPOSFURRDKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2.
What are the key properties of cyclododecanone?
cyclododecanone has a molecular weight of 182.31 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecanone is sourced from PubChem (CID 13246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).