2,2-dimethyl-5-(3-methylbut-2-enyl)-5-prop-2-enyl-1,3-dioxane

C14H24O2 — CID 101415255

IUPAC2,2-dimethyl-5-(3-methylbut-2-enyl)-5-prop-2-enyl-1,3-dioxane
SMILESC=CCC1(CC=C(C)C)COC(C)(C)OC1
InChIInChI=1S/C14H24O2/c1-6-8-14(9-7-12(2)3)10-15-13(4,5)16-11-14/h6-7H,1,8-11H2,2-5H3
InChIKeyWDVCKVIWLNNMOG-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.69
Rot. Bonds4

About 2,2-dimethyl-5-(3-methylbut-2-enyl)-5-prop-2-enyl-1,3-dioxane

2,2-dimethyl-5-(3-methylbut-2-enyl)-5-prop-2-enyl-1,3-dioxane (PubChem CID 101415255) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2,2-dimethyl-5-(3-methylbut-2-enyl)-5-prop-2-enyl-1,3-dioxane.

Molecular Properties

Compound Name2,2-dimethyl-5-(3-methylbut-2-enyl)-5-prop-2-enyl-1,3-dioxane
PubChem CID101415255
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2,2-dimethyl-5-(3-methylbut-2-enyl)-5-prop-2-enyl-1,3-dioxane
SMILESC=CCC1(CC=C(C)C)COC(C)(C)OC1
InChIInChI=1S/C14H24O2/c1-6-8-14(9-7-12(2)3)10-15-13(4,5)16-11-14/h6-7H,1,8-11H2,2-5H3
InChIKeyWDVCKVIWLNNMOG-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(3-methylbut-2-enyl)-5-prop-2-enyl-1,3-dioxane?
The IUPAC name of 2,2-dimethyl-5-(3-methylbut-2-enyl)-5-prop-2-enyl-1,3-dioxane (CID 101415255) is 2,2-dimethyl-5-(3-methylbut-2-enyl)-5-prop-2-enyl-1,3-dioxane.
What is the SMILES notation for 2,2-dimethyl-5-(3-methylbut-2-enyl)-5-prop-2-enyl-1,3-dioxane?
The canonical SMILES for 2,2-dimethyl-5-(3-methylbut-2-enyl)-5-prop-2-enyl-1,3-dioxane is C=CCC1(CC=C(C)C)COC(C)(C)OC1.
What is the InChIKey of 2,2-dimethyl-5-(3-methylbut-2-enyl)-5-prop-2-enyl-1,3-dioxane?
The InChIKey is WDVCKVIWLNNMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-6-8-14(9-7-12(2)3)10-15-13(4,5)16-11-14/h6-7H,1,8-11H2,2-5H3.
What are the key properties of 2,2-dimethyl-5-(3-methylbut-2-enyl)-5-prop-2-enyl-1,3-dioxane?
2,2-dimethyl-5-(3-methylbut-2-enyl)-5-prop-2-enyl-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 2,2-dimethyl-5-(3-methylbut-2-enyl)-5-prop-2-enyl-1,3-dioxane is sourced from PubChem (CID 101415255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).