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

C12H20O2 — CID 10932381

IUPAC2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxane
SMILESC=CCC1(CC=C)COC(C)(C)OC1
InChIInChI=1S/C12H20O2/c1-5-7-12(8-6-2)9-13-11(3,4)14-10-12/h5-6H,1-2,7-10H2,3-4H3
InChIKeyYULYHBVSZZWNIY-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.91
Rot. Bonds4

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

2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxane (PubChem CID 10932381) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxane.

Molecular Properties

Compound Name2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxane
PubChem CID10932381
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxane
SMILESC=CCC1(CC=C)COC(C)(C)OC1
InChIInChI=1S/C12H20O2/c1-5-7-12(8-6-2)9-13-11(3,4)14-10-12/h5-6H,1-2,7-10H2,3-4H3
InChIKeyYULYHBVSZZWNIY-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.91
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-5,5-bis(prop-2-enyl)-1,3-dioxane?
The IUPAC name of 2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxane (CID 10932381) is 2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxane.
What is the SMILES notation for 2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxane?
The canonical SMILES for 2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxane is C=CCC1(CC=C)COC(C)(C)OC1.
What is the InChIKey of 2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxane?
The InChIKey is YULYHBVSZZWNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-5-7-12(8-6-2)9-13-11(3,4)14-10-12/h5-6H,1-2,7-10H2,3-4H3.
What are the key properties of 2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxane?
2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxane has a molecular weight of 196.29 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxane is sourced from PubChem (CID 10932381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).