2,2-dimethyl-5-pent-2-enyl-5-prop-2-enyl-1,3-dioxane

C14H24O2 — CID 67259972

IUPAC2,2-dimethyl-5-pent-2-enyl-5-prop-2-enyl-1,3-dioxane
SMILESC=CCC1(CC=CCC)COC(C)(C)OC1
InChIInChI=1S/C14H24O2/c1-5-7-8-10-14(9-6-2)11-15-13(3,4)16-12-14/h6-8H,2,5,9-12H2,1,3-4H3
InChIKeyDFVKQMBQDZUMEM-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.69
Rot. Bonds5

About 2,2-dimethyl-5-pent-2-enyl-5-prop-2-enyl-1,3-dioxane

2,2-dimethyl-5-pent-2-enyl-5-prop-2-enyl-1,3-dioxane (PubChem CID 67259972) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2,2-dimethyl-5-pent-2-enyl-5-prop-2-enyl-1,3-dioxane.

Molecular Properties

Compound Name2,2-dimethyl-5-pent-2-enyl-5-prop-2-enyl-1,3-dioxane
PubChem CID67259972
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2,2-dimethyl-5-pent-2-enyl-5-prop-2-enyl-1,3-dioxane
SMILESC=CCC1(CC=CCC)COC(C)(C)OC1
InChIInChI=1S/C14H24O2/c1-5-7-8-10-14(9-6-2)11-15-13(3,4)16-12-14/h6-8H,2,5,9-12H2,1,3-4H3
InChIKeyDFVKQMBQDZUMEM-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-pent-2-enyl-5-prop-2-enyl-1,3-dioxane?
The IUPAC name of 2,2-dimethyl-5-pent-2-enyl-5-prop-2-enyl-1,3-dioxane (CID 67259972) is 2,2-dimethyl-5-pent-2-enyl-5-prop-2-enyl-1,3-dioxane.
What is the SMILES notation for 2,2-dimethyl-5-pent-2-enyl-5-prop-2-enyl-1,3-dioxane?
The canonical SMILES for 2,2-dimethyl-5-pent-2-enyl-5-prop-2-enyl-1,3-dioxane is C=CCC1(CC=CCC)COC(C)(C)OC1.
What is the InChIKey of 2,2-dimethyl-5-pent-2-enyl-5-prop-2-enyl-1,3-dioxane?
The InChIKey is DFVKQMBQDZUMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-5-7-8-10-14(9-6-2)11-15-13(3,4)16-12-14/h6-8H,2,5,9-12H2,1,3-4H3.
What are the key properties of 2,2-dimethyl-5-pent-2-enyl-5-prop-2-enyl-1,3-dioxane?
2,2-dimethyl-5-pent-2-enyl-5-prop-2-enyl-1,3-dioxane has a molecular weight of 224.34 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-pent-2-enyl-5-prop-2-enyl-1,3-dioxane is sourced from PubChem (CID 67259972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).