2-(3-ethenylpent-3-enyl)-2,5,5-trimethyl-1,3-dioxane

C14H24O2 — CID 23252953

IUPAC2-(3-ethenylpent-3-enyl)-2,5,5-trimethyl-1,3-dioxane
SMILESC=CC(=CC)CCC1(C)OCC(C)(C)CO1
InChIInChI=1S/C14H24O2/c1-6-12(7-2)8-9-14(5)15-10-13(3,4)11-16-14/h6-7H,1,8-11H2,2-5H3
InChIKeyPLJVSFAPCRYRFA-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.69
Rot. Bonds4

About 2-(3-ethenylpent-3-enyl)-2,5,5-trimethyl-1,3-dioxane

2-(3-ethenylpent-3-enyl)-2,5,5-trimethyl-1,3-dioxane (PubChem CID 23252953) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-(3-ethenylpent-3-enyl)-2,5,5-trimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-(3-ethenylpent-3-enyl)-2,5,5-trimethyl-1,3-dioxane
PubChem CID23252953
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-(3-ethenylpent-3-enyl)-2,5,5-trimethyl-1,3-dioxane
SMILESC=CC(=CC)CCC1(C)OCC(C)(C)CO1
InChIInChI=1S/C14H24O2/c1-6-12(7-2)8-9-14(5)15-10-13(3,4)11-16-14/h6-7H,1,8-11H2,2-5H3
InChIKeyPLJVSFAPCRYRFA-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-ethenylpent-3-enyl)-2,5,5-trimethyl-1,3-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Dioxane, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)-
CID 97843
2,5,5-Trimethyl-2-(4-methyl-3-pentenyl)-1,3-dioxane
CID 95982
1,3-Dioxane, 4,6-dimethyl-2-methyl-2-(4-methyl-3-pentenyl)-
CID 176640
2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,5,5-trimethyl-1,3-dioxane
CID 90238582
2-[(3Z)-4,8-dimethylnona-3,7-dienyl]-2,5,5-trimethyl-1,3-dioxane
CID 90238731
5-Allyl-2,2-dimethyl-5-(3-methylbut-2-en-1-yl)-1,3-dioxane
CID 101415255
(4R,6R)-2,4,6-trimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane
CID 134895898
2-Ethyl-4-methyl-2-(4-methylpent-3-enyl)-1,3-dioxane
CID 20224645
9-Ethylidene-3,3-dimethyl-1,5-dioxaspiro[5.5]undecane
CID 21305154
2-(3-Cyclopenta-2,4-dien-1-ylidenebutyl)-1,3-dioxane
CID 66633731
2,5,5-trimethyl-2-[(3Z,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxane
CID 90238653
2,5,5-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-1,3-dioxane
CID 90238654

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenylpent-3-enyl)-2,5,5-trimethyl-1,3-dioxane?
The IUPAC name of 2-(3-ethenylpent-3-enyl)-2,5,5-trimethyl-1,3-dioxane (CID 23252953) is 2-(3-ethenylpent-3-enyl)-2,5,5-trimethyl-1,3-dioxane.
What is the SMILES notation for 2-(3-ethenylpent-3-enyl)-2,5,5-trimethyl-1,3-dioxane?
The canonical SMILES for 2-(3-ethenylpent-3-enyl)-2,5,5-trimethyl-1,3-dioxane is C=CC(=CC)CCC1(C)OCC(C)(C)CO1.
What is the InChIKey of 2-(3-ethenylpent-3-enyl)-2,5,5-trimethyl-1,3-dioxane?
The InChIKey is PLJVSFAPCRYRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-6-12(7-2)8-9-14(5)15-10-13(3,4)11-16-14/h6-7H,1,8-11H2,2-5H3.
What are the key properties of 2-(3-ethenylpent-3-enyl)-2,5,5-trimethyl-1,3-dioxane?
2-(3-ethenylpent-3-enyl)-2,5,5-trimethyl-1,3-dioxane has a molecular weight of 224.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenylpent-3-enyl)-2,5,5-trimethyl-1,3-dioxane is sourced from PubChem (CID 23252953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).