2-propan-2-yl-4,4-bis(prop-2-enyl)-1,3-dioxolane

C12H20O2 — CID 67260443

IUPAC2-propan-2-yl-4,4-bis(prop-2-enyl)-1,3-dioxolane
SMILESC=CCC1(CC=C)COC(C(C)C)O1
InChIInChI=1S/C12H20O2/c1-5-7-12(8-6-2)9-13-11(14-12)10(3)4/h5-6,10-11H,1-2,7-9H2,3-4H3
InChIKeySWWSJULYLCIAEC-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.91
Rot. Bonds5

About 2-propan-2-yl-4,4-bis(prop-2-enyl)-1,3-dioxolane

2-propan-2-yl-4,4-bis(prop-2-enyl)-1,3-dioxolane (PubChem CID 67260443) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-propan-2-yl-4,4-bis(prop-2-enyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-propan-2-yl-4,4-bis(prop-2-enyl)-1,3-dioxolane
PubChem CID67260443
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-propan-2-yl-4,4-bis(prop-2-enyl)-1,3-dioxolane
SMILESC=CCC1(CC=C)COC(C(C)C)O1
InChIInChI=1S/C12H20O2/c1-5-7-12(8-6-2)9-13-11(14-12)10(3)4/h5-6,10-11H,1-2,7-9H2,3-4H3
InChIKeySWWSJULYLCIAEC-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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'}

Analyze 2-propan-2-yl-4,4-bis(prop-2-enyl)-1,3-dioxolane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4,4-bis(prop-2-enyl)-1,3-dioxolane?
The IUPAC name of 2-propan-2-yl-4,4-bis(prop-2-enyl)-1,3-dioxolane (CID 67260443) is 2-propan-2-yl-4,4-bis(prop-2-enyl)-1,3-dioxolane.
What is the SMILES notation for 2-propan-2-yl-4,4-bis(prop-2-enyl)-1,3-dioxolane?
The canonical SMILES for 2-propan-2-yl-4,4-bis(prop-2-enyl)-1,3-dioxolane is C=CCC1(CC=C)COC(C(C)C)O1.
What is the InChIKey of 2-propan-2-yl-4,4-bis(prop-2-enyl)-1,3-dioxolane?
The InChIKey is SWWSJULYLCIAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-5-7-12(8-6-2)9-13-11(14-12)10(3)4/h5-6,10-11H,1-2,7-9H2,3-4H3.
What are the key properties of 2-propan-2-yl-4,4-bis(prop-2-enyl)-1,3-dioxolane?
2-propan-2-yl-4,4-bis(prop-2-enyl)-1,3-dioxolane has a molecular weight of 196.29 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4,4-bis(prop-2-enyl)-1,3-dioxolane is sourced from PubChem (CID 67260443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).