2-cyclohex-3-en-1-yl-5-methylidene-1,3-dioxane

C11H16O2 — CID 134937770

IUPAC2-cyclohex-3-en-1-yl-5-methylidene-1,3-dioxane
SMILESC=C1COC(C2CC=CCC2)OC1
InChIInChI=1S/C11H16O2/c1-9-7-12-11(13-8-9)10-5-3-2-4-6-10/h2-3,10-11H,1,4-8H2
InChIKeyXVUQPZYALLHNBV-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.27
Rot. Bonds1

About 2-cyclohex-3-en-1-yl-5-methylidene-1,3-dioxane

2-cyclohex-3-en-1-yl-5-methylidene-1,3-dioxane (PubChem CID 134937770) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-5-methylidene-1,3-dioxane.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-5-methylidene-1,3-dioxane
PubChem CID134937770
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-cyclohex-3-en-1-yl-5-methylidene-1,3-dioxane
SMILESC=C1COC(C2CC=CCC2)OC1
InChIInChI=1S/C11H16O2/c1-9-7-12-11(13-8-9)10-5-3-2-4-6-10/h2-3,10-11H,1,4-8H2
InChIKeyXVUQPZYALLHNBV-UHFFFAOYSA-N
XLogP2.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dioxaspiro[5.5]undec-8-ene, 3-ethyl-
CID 116562
2-(Cyclohex-3-en-1-yl)-4,4,6-trimethyl-1,3-dioxane
CID 242720
2,4-Dioxaspiro[5.5]undec-8-ene, 3-(3-cyclohexen-1-yl)-
CID 13782871
3-Ethenyl-7,9,11-trimethyl-2,4-dioxaspiro[5.5]undec-8-ene
CID 3608643
2-(2,6-Dimethyl-5-heptenyl)-5,5-dimethyl-1,3-dioxane
CID 3708293
5-[(E)-but-1-enyl]-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane
CID 22876133
5-But-3-enyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane
CID 22876134
5-Ethyl-2-(4-fluorocyclohex-3-en-1-yl)-1,3-dioxane
CID 22876136
2-(4-fluorocyclohex-3-en-1-yl)-5-[(E)-pent-1-enyl]-1,3-dioxane
CID 22876137
2-(4-fluorocyclohex-3-en-1-yl)-5-[(E)-pent-3-enyl]-1,3-dioxane
CID 22876138
2-(4-fluorocyclohex-3-en-1-yl)-5-[(E)-prop-1-enyl]-1,3-dioxane
CID 22876140
2-(4-Fluorocyclohex-3-en-1-yl)-5-propyl-1,3-dioxane
CID 22876141

Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-3-en-1-yl-5-methylidene-1,3-dioxane?
The IUPAC name of 2-cyclohex-3-en-1-yl-5-methylidene-1,3-dioxane (CID 134937770) is 2-cyclohex-3-en-1-yl-5-methylidene-1,3-dioxane.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-5-methylidene-1,3-dioxane?
The canonical SMILES for 2-cyclohex-3-en-1-yl-5-methylidene-1,3-dioxane is C=C1COC(C2CC=CCC2)OC1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-5-methylidene-1,3-dioxane?
The InChIKey is XVUQPZYALLHNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-9-7-12-11(13-8-9)10-5-3-2-4-6-10/h2-3,10-11H,1,4-8H2.
What are the key properties of 2-cyclohex-3-en-1-yl-5-methylidene-1,3-dioxane?
2-cyclohex-3-en-1-yl-5-methylidene-1,3-dioxane has a molecular weight of 180.25 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-5-methylidene-1,3-dioxane is sourced from PubChem (CID 134937770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).