2,2-bis(prop-2-enyl)-1,4-dioxane

C10H16O2 — CID 67259470

IUPAC2,2-bis(prop-2-enyl)-1,4-dioxane
SMILESC=CCC1(CC=C)COCCO1
InChIInChI=1S/C10H16O2/c1-3-5-10(6-4-2)9-11-7-8-12-10/h3-4H,1-2,5-9H2
InChIKeySINBOXBEKSRRAQ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.92
Rot. Bonds4

About 2,2-bis(prop-2-enyl)-1,4-dioxane

2,2-bis(prop-2-enyl)-1,4-dioxane (PubChem CID 67259470) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2,2-bis(prop-2-enyl)-1,4-dioxane.

Molecular Properties

Compound Name2,2-bis(prop-2-enyl)-1,4-dioxane
PubChem CID67259470
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2,2-bis(prop-2-enyl)-1,4-dioxane
SMILESC=CCC1(CC=C)COCCO1
InChIInChI=1S/C10H16O2/c1-3-5-10(6-4-2)9-11-7-8-12-10/h3-4H,1-2,5-9H2
InChIKeySINBOXBEKSRRAQ-UHFFFAOYSA-N
XLogP1.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.92
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-bis(prop-2-enyl)-1,4-dioxane?
The IUPAC name of 2,2-bis(prop-2-enyl)-1,4-dioxane (CID 67259470) is 2,2-bis(prop-2-enyl)-1,4-dioxane.
What is the SMILES notation for 2,2-bis(prop-2-enyl)-1,4-dioxane?
The canonical SMILES for 2,2-bis(prop-2-enyl)-1,4-dioxane is C=CCC1(CC=C)COCCO1.
What is the InChIKey of 2,2-bis(prop-2-enyl)-1,4-dioxane?
The InChIKey is SINBOXBEKSRRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-5-10(6-4-2)9-11-7-8-12-10/h3-4H,1-2,5-9H2.
What are the key properties of 2,2-bis(prop-2-enyl)-1,4-dioxane?
2,2-bis(prop-2-enyl)-1,4-dioxane has a molecular weight of 168.24 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(prop-2-enyl)-1,4-dioxane is sourced from PubChem (CID 67259470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).