cyclododecanone;toluene

C19H30O — CID 158013409

IUPACcyclododecanone;toluene
SMILESCc1ccccc1.O=C1CCCCCCCCCCC1
InChIInChI=1S/C12H22O.C7H8/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;1-7-5-3-2-4-6-7/h1-11H2;2-6H,1H3
InChIKeyFFEBWMVLWWNOEJ-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.86
Rot. Bonds

About cyclododecanone;toluene

cyclododecanone;toluene (PubChem CID 158013409) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is cyclododecanone;toluene.

Molecular Properties

Compound Namecyclododecanone;toluene
PubChem CID158013409
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Namecyclododecanone;toluene
SMILESCc1ccccc1.O=C1CCCCCCCCCCC1
InChIInChI=1S/C12H22O.C7H8/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;1-7-5-3-2-4-6-7/h1-11H2;2-6H,1H3
InChIKeyFFEBWMVLWWNOEJ-UHFFFAOYSA-N
XLogP5.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclododecanone;toluene?
The IUPAC name of cyclododecanone;toluene (CID 158013409) is cyclododecanone;toluene.
What is the SMILES notation for cyclododecanone;toluene?
The canonical SMILES for cyclododecanone;toluene is Cc1ccccc1.O=C1CCCCCCCCCCC1.
What is the InChIKey of cyclododecanone;toluene?
The InChIKey is FFEBWMVLWWNOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O.C7H8/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;1-7-5-3-2-4-6-7/h1-11H2;2-6H,1H3.
What are the key properties of cyclododecanone;toluene?
cyclododecanone;toluene has a molecular weight of 274.45 g/mol, XLogP of 5.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecanone;toluene is sourced from PubChem (CID 158013409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).