2-(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)-1,3-dioxane

C14H20O2 — CID 123354193

IUPAC2-(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)-1,3-dioxane
SMILESCC=C(C)C1=CC=C(C2OCCCO2)CC1
InChIInChI=1S/C14H20O2/c1-3-11(2)12-5-7-13(8-6-12)14-15-9-4-10-16-14/h3,5,7,14H,4,6,8-10H2,1-2H3
InChIKeyUAYJGRXCCNENFV-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.36
Rot. Bonds2

About 2-(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)-1,3-dioxane

2-(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)-1,3-dioxane (PubChem CID 123354193) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)-1,3-dioxane.

Molecular Properties

Compound Name2-(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)-1,3-dioxane
PubChem CID123354193
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)-1,3-dioxane
SMILESCC=C(C)C1=CC=C(C2OCCCO2)CC1
InChIInChI=1S/C14H20O2/c1-3-11(2)12-5-7-13(8-6-12)14-15-9-4-10-16-14/h3,5,7,14H,4,6,8-10H2,1-2H3
InChIKeyUAYJGRXCCNENFV-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)-1,3-dioxane with MolForge

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Related Compounds

5-Methyl-2-(5,5,6,6-tetrafluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,3-dioxane
CID 137537921
(2R,4R,5Z,6R)-5-(cyclohexen-1-ylmethylidene)-2,4-diethyl-6-methyl-1,3-dioxane
CID 11994598
1-(Dimethoxymethyl)-2-(3-methylbuta-1,2-dienyl)cyclohexene
CID 71475934
1-(Diethoxymethyl)cyclohex-1-ene
CID 12540973
2-(Cyclohexen-1-yl)-1,3-dioxane
CID 57103168
3,9-Di(cyclohexen-1-yl)-2,4,8,10-tetraoxaspiro[5.5]undecane
CID 70500899
2-(3-Cyclohex-3-en-1-ylprop-1-en-2-yl)-5,5-dimethyl-1,3-dioxane
CID 86011639
2-[(1E,3E)-2,3-dimethylnona-1,3-dienyl]-1,3-dioxane
CID 87997072
1-[1-(3,7-Dimethylocta-2,6-dienoxy)heptoxy]-3,7-dimethylocta-2,6-diene
CID 91530695
1-Heptanal digeranyl acetal
CID 92034474
2-[(1E,3E)-2,3-dimethylocta-1,3-dienyl]-1,3-dioxane
CID 117883960
2-(2-Ethylcyclohexa-1,3-dien-1-yl)-1,3-dioxane
CID 142950183

Frequently Asked Questions

What is the IUPAC name of 2-(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)-1,3-dioxane?
The IUPAC name of 2-(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)-1,3-dioxane (CID 123354193) is 2-(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)-1,3-dioxane.
What is the SMILES notation for 2-(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)-1,3-dioxane?
The canonical SMILES for 2-(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)-1,3-dioxane is CC=C(C)C1=CC=C(C2OCCCO2)CC1.
What is the InChIKey of 2-(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)-1,3-dioxane?
The InChIKey is UAYJGRXCCNENFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-11(2)12-5-7-13(8-6-12)14-15-9-4-10-16-14/h3,5,7,14H,4,6,8-10H2,1-2H3.
What are the key properties of 2-(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)-1,3-dioxane?
2-(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)-1,3-dioxane has a molecular weight of 220.31 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-but-2-en-2-ylcyclohexa-1,3-dien-1-yl)-1,3-dioxane is sourced from PubChem (CID 123354193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).