cyclohexanone;1,4-dioxan-2-one

C10H16O4 — CID 159417034

IUPACcyclohexanone;1,4-dioxan-2-one
SMILESO=C1CCCCC1.O=C1COCCO1
InChIInChI=1S/C6H10O.C4H6O3/c7-6-4-2-1-3-5-6;5-4-3-6-1-2-7-4/h1-5H2;1-3H2
InChIKeyLPHCQOKLPLMFRJ-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.08
Rot. Bonds

About cyclohexanone;1,4-dioxan-2-one

cyclohexanone;1,4-dioxan-2-one (PubChem CID 159417034) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is cyclohexanone;1,4-dioxan-2-one.

Molecular Properties

Compound Namecyclohexanone;1,4-dioxan-2-one
PubChem CID159417034
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namecyclohexanone;1,4-dioxan-2-one
SMILESO=C1CCCCC1.O=C1COCCO1
InChIInChI=1S/C6H10O.C4H6O3/c7-6-4-2-1-3-5-6;5-4-3-6-1-2-7-4/h1-5H2;1-3H2
InChIKeyLPHCQOKLPLMFRJ-UHFFFAOYSA-N
XLogP1.08
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexanone;1,4-dioxan-2-one?
The IUPAC name of cyclohexanone;1,4-dioxan-2-one (CID 159417034) is cyclohexanone;1,4-dioxan-2-one.
What is the SMILES notation for cyclohexanone;1,4-dioxan-2-one?
The canonical SMILES for cyclohexanone;1,4-dioxan-2-one is O=C1CCCCC1.O=C1COCCO1.
What is the InChIKey of cyclohexanone;1,4-dioxan-2-one?
The InChIKey is LPHCQOKLPLMFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C4H6O3/c7-6-4-2-1-3-5-6;5-4-3-6-1-2-7-4/h1-5H2;1-3H2.
What are the key properties of cyclohexanone;1,4-dioxan-2-one?
cyclohexanone;1,4-dioxan-2-one has a molecular weight of 200.23 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanone;1,4-dioxan-2-one is sourced from PubChem (CID 159417034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).