2-cyclohex-3-en-1-yl-1-(1,4-dioxan-2-yl)ethanone

C12H18O3 — CID 164655867

IUPAC2-cyclohex-3-en-1-yl-1-(1,4-dioxan-2-yl)ethanone
SMILESO=C(CC1CC=CCC1)C1COCCO1
InChIInChI=1S/C12H18O3/c13-11(12-9-14-6-7-15-12)8-10-4-2-1-3-5-10/h1-2,10,12H,3-9H2
InChIKeyADPCSWVSUOVURT-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.72
Rot. Bonds3

About 2-cyclohex-3-en-1-yl-1-(1,4-dioxan-2-yl)ethanone

2-cyclohex-3-en-1-yl-1-(1,4-dioxan-2-yl)ethanone (PubChem CID 164655867) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-1-(1,4-dioxan-2-yl)ethanone.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-1-(1,4-dioxan-2-yl)ethanone
PubChem CID164655867
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-cyclohex-3-en-1-yl-1-(1,4-dioxan-2-yl)ethanone
SMILESO=C(CC1CC=CCC1)C1COCCO1
InChIInChI=1S/C12H18O3/c13-11(12-9-14-6-7-15-12)8-10-4-2-1-3-5-10/h1-2,10,12H,3-9H2
InChIKeyADPCSWVSUOVURT-UHFFFAOYSA-N
XLogP1.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-1-(1,4-dioxan-2-yl)ethanone?
The IUPAC name of 2-cyclohex-3-en-1-yl-1-(1,4-dioxan-2-yl)ethanone (CID 164655867) is 2-cyclohex-3-en-1-yl-1-(1,4-dioxan-2-yl)ethanone.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-1-(1,4-dioxan-2-yl)ethanone?
The canonical SMILES for 2-cyclohex-3-en-1-yl-1-(1,4-dioxan-2-yl)ethanone is O=C(CC1CC=CCC1)C1COCCO1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-1-(1,4-dioxan-2-yl)ethanone?
The InChIKey is ADPCSWVSUOVURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c13-11(12-9-14-6-7-15-12)8-10-4-2-1-3-5-10/h1-2,10,12H,3-9H2.
What are the key properties of 2-cyclohex-3-en-1-yl-1-(1,4-dioxan-2-yl)ethanone?
2-cyclohex-3-en-1-yl-1-(1,4-dioxan-2-yl)ethanone has a molecular weight of 210.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-1-(1,4-dioxan-2-yl)ethanone is sourced from PubChem (CID 164655867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).