cyclododecanone;2-methylpropane

C16H32O — CID 174689717

IUPACcyclododecanone;2-methylpropane
SMILESCC(C)C.O=C1CCCCCCCCCCC1
InChIInChI=1S/C12H22O.C4H10/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;1-4(2)3/h1-11H2;4H,1-3H3
InChIKeyJEOPZKUKEVAYEZ-UHFFFAOYSA-N
MW240.43 g/mol
LogP5.52
Rot. Bonds

About cyclododecanone;2-methylpropane

cyclododecanone;2-methylpropane (PubChem CID 174689717) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is cyclododecanone;2-methylpropane.

Molecular Properties

Compound Namecyclododecanone;2-methylpropane
PubChem CID174689717
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Namecyclododecanone;2-methylpropane
SMILESCC(C)C.O=C1CCCCCCCCCCC1
InChIInChI=1S/C12H22O.C4H10/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;1-4(2)3/h1-11H2;4H,1-3H3
InChIKeyJEOPZKUKEVAYEZ-UHFFFAOYSA-N
XLogP5.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclododecanone;2-methylpropane?
The IUPAC name of cyclododecanone;2-methylpropane (CID 174689717) is cyclododecanone;2-methylpropane.
What is the SMILES notation for cyclododecanone;2-methylpropane?
The canonical SMILES for cyclododecanone;2-methylpropane is CC(C)C.O=C1CCCCCCCCCCC1.
What is the InChIKey of cyclododecanone;2-methylpropane?
The InChIKey is JEOPZKUKEVAYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O.C4H10/c13-12-10-8-6-4-2-1-3-5-7-9-11-12;1-4(2)3/h1-11H2;4H,1-3H3.
What are the key properties of cyclododecanone;2-methylpropane?
cyclododecanone;2-methylpropane has a molecular weight of 240.43 g/mol, XLogP of 5.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecanone;2-methylpropane is sourced from PubChem (CID 174689717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).