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

C13H22O2 — CID 67259422

IUPAC2-butyl-4,4-bis(prop-2-enyl)-1,3-dioxolane
SMILESC=CCC1(CC=C)COC(CCCC)O1
InChIInChI=1S/C13H22O2/c1-4-7-8-12-14-11-13(15-12,9-5-2)10-6-3/h5-6,12H,2-4,7-11H2,1H3
InChIKeyIJASMYGDXIQILQ-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.44
Rot. Bonds7

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

2-butyl-4,4-bis(prop-2-enyl)-1,3-dioxolane (PubChem CID 67259422) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-butyl-4,4-bis(prop-2-enyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-butyl-4,4-bis(prop-2-enyl)-1,3-dioxolane
PubChem CID67259422
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-butyl-4,4-bis(prop-2-enyl)-1,3-dioxolane
SMILESC=CCC1(CC=C)COC(CCCC)O1
InChIInChI=1S/C13H22O2/c1-4-7-8-12-14-11-13(15-12,9-5-2)10-6-3/h5-6,12H,2-4,7-11H2,1H3
InChIKeyIJASMYGDXIQILQ-UHFFFAOYSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.44
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-butyl-4,4-bis(prop-2-enyl)-1,3-dioxolane?
The IUPAC name of 2-butyl-4,4-bis(prop-2-enyl)-1,3-dioxolane (CID 67259422) is 2-butyl-4,4-bis(prop-2-enyl)-1,3-dioxolane.
What is the SMILES notation for 2-butyl-4,4-bis(prop-2-enyl)-1,3-dioxolane?
The canonical SMILES for 2-butyl-4,4-bis(prop-2-enyl)-1,3-dioxolane is C=CCC1(CC=C)COC(CCCC)O1.
What is the InChIKey of 2-butyl-4,4-bis(prop-2-enyl)-1,3-dioxolane?
The InChIKey is IJASMYGDXIQILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-4-7-8-12-14-11-13(15-12,9-5-2)10-6-3/h5-6,12H,2-4,7-11H2,1H3.
What are the key properties of 2-butyl-4,4-bis(prop-2-enyl)-1,3-dioxolane?
2-butyl-4,4-bis(prop-2-enyl)-1,3-dioxolane has a molecular weight of 210.32 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,4-bis(prop-2-enyl)-1,3-dioxolane is sourced from PubChem (CID 67259422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).