cyclohexen-1-yl(1,4-dioxan-2-yl)methanone

C11H16O3 — CID 62800073

IUPACcyclohexen-1-yl(1,4-dioxan-2-yl)methanone
SMILESO=C(C1=CCCCC1)C1COCCO1
InChIInChI=1S/C11H16O3/c12-11(9-4-2-1-3-5-9)10-8-13-6-7-14-10/h4,10H,1-3,5-8H2
InChIKeyHRWVOTDOOJVLGZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.47
Rot. Bonds2

About cyclohexen-1-yl(1,4-dioxan-2-yl)methanone

cyclohexen-1-yl(1,4-dioxan-2-yl)methanone (PubChem CID 62800073) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is cyclohexen-1-yl(1,4-dioxan-2-yl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl(1,4-dioxan-2-yl)methanone
PubChem CID62800073
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Namecyclohexen-1-yl(1,4-dioxan-2-yl)methanone
SMILESO=C(C1=CCCCC1)C1COCCO1
InChIInChI=1S/C11H16O3/c12-11(9-4-2-1-3-5-9)10-8-13-6-7-14-10/h4,10H,1-3,5-8H2
InChIKeyHRWVOTDOOJVLGZ-UHFFFAOYSA-N
XLogP1.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl(1,4-dioxan-2-yl)methanone?
The IUPAC name of cyclohexen-1-yl(1,4-dioxan-2-yl)methanone (CID 62800073) is cyclohexen-1-yl(1,4-dioxan-2-yl)methanone.
What is the SMILES notation for cyclohexen-1-yl(1,4-dioxan-2-yl)methanone?
The canonical SMILES for cyclohexen-1-yl(1,4-dioxan-2-yl)methanone is O=C(C1=CCCCC1)C1COCCO1.
What is the InChIKey of cyclohexen-1-yl(1,4-dioxan-2-yl)methanone?
The InChIKey is HRWVOTDOOJVLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c12-11(9-4-2-1-3-5-9)10-8-13-6-7-14-10/h4,10H,1-3,5-8H2.
What are the key properties of cyclohexen-1-yl(1,4-dioxan-2-yl)methanone?
cyclohexen-1-yl(1,4-dioxan-2-yl)methanone has a molecular weight of 196.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl(1,4-dioxan-2-yl)methanone is sourced from PubChem (CID 62800073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).