2-(3-cyclohex-3-en-1-ylprop-1-en-2-yl)-5,5-dimethyl-1,3-dioxane

C15H24O2 — CID 86011639

IUPAC2-(3-cyclohex-3-en-1-ylprop-1-en-2-yl)-5,5-dimethyl-1,3-dioxane
SMILESC=C(CC1CC=CCC1)C1OCC(C)(C)CO1
InChIInChI=1S/C15H24O2/c1-12(9-13-7-5-4-6-8-13)14-16-10-15(2,3)11-17-14/h4-5,13-14H,1,6-11H2,2-3H3
InChIKeyDSORDCYRQYFEIL-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.69
Rot. Bonds3

About 2-(3-cyclohex-3-en-1-ylprop-1-en-2-yl)-5,5-dimethyl-1,3-dioxane

2-(3-cyclohex-3-en-1-ylprop-1-en-2-yl)-5,5-dimethyl-1,3-dioxane (PubChem CID 86011639) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-(3-cyclohex-3-en-1-ylprop-1-en-2-yl)-5,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-(3-cyclohex-3-en-1-ylprop-1-en-2-yl)-5,5-dimethyl-1,3-dioxane
PubChem CID86011639
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-(3-cyclohex-3-en-1-ylprop-1-en-2-yl)-5,5-dimethyl-1,3-dioxane
SMILESC=C(CC1CC=CCC1)C1OCC(C)(C)CO1
InChIInChI=1S/C15H24O2/c1-12(9-13-7-5-4-6-8-13)14-16-10-15(2,3)11-17-14/h4-5,13-14H,1,6-11H2,2-3H3
InChIKeyDSORDCYRQYFEIL-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-cyclohex-3-en-1-ylprop-1-en-2-yl)-5,5-dimethyl-1,3-dioxane?
The IUPAC name of 2-(3-cyclohex-3-en-1-ylprop-1-en-2-yl)-5,5-dimethyl-1,3-dioxane (CID 86011639) is 2-(3-cyclohex-3-en-1-ylprop-1-en-2-yl)-5,5-dimethyl-1,3-dioxane.
What is the SMILES notation for 2-(3-cyclohex-3-en-1-ylprop-1-en-2-yl)-5,5-dimethyl-1,3-dioxane?
The canonical SMILES for 2-(3-cyclohex-3-en-1-ylprop-1-en-2-yl)-5,5-dimethyl-1,3-dioxane is C=C(CC1CC=CCC1)C1OCC(C)(C)CO1.
What is the InChIKey of 2-(3-cyclohex-3-en-1-ylprop-1-en-2-yl)-5,5-dimethyl-1,3-dioxane?
The InChIKey is DSORDCYRQYFEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-12(9-13-7-5-4-6-8-13)14-16-10-15(2,3)11-17-14/h4-5,13-14H,1,6-11H2,2-3H3.
What are the key properties of 2-(3-cyclohex-3-en-1-ylprop-1-en-2-yl)-5,5-dimethyl-1,3-dioxane?
2-(3-cyclohex-3-en-1-ylprop-1-en-2-yl)-5,5-dimethyl-1,3-dioxane has a molecular weight of 236.35 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohex-3-en-1-ylprop-1-en-2-yl)-5,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 86011639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).