2,2-bis(but-3-enyl)-1,3-dioxolane

C11H18O2 — CID 121218097

IUPAC2,2-bis(but-3-enyl)-1,3-dioxolane
SMILESC=CCCC1(CCC=C)OCCO1
InChIInChI=1S/C11H18O2/c1-3-5-7-11(8-6-4-2)12-9-10-13-11/h3-4H,1-2,5-10H2
InChIKeyIKFIFYCGJCERPO-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.66
Rot. Bonds6

About 2,2-bis(but-3-enyl)-1,3-dioxolane

2,2-bis(but-3-enyl)-1,3-dioxolane (PubChem CID 121218097) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2,2-bis(but-3-enyl)-1,3-dioxolane.

Molecular Properties

Compound Name2,2-bis(but-3-enyl)-1,3-dioxolane
PubChem CID121218097
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2,2-bis(but-3-enyl)-1,3-dioxolane
SMILESC=CCCC1(CCC=C)OCCO1
InChIInChI=1S/C11H18O2/c1-3-5-7-11(8-6-4-2)12-9-10-13-11/h3-4H,1-2,5-10H2
InChIKeyIKFIFYCGJCERPO-UHFFFAOYSA-N
XLogP2.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.66
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(but-3-enyl)-1,3-dioxolane?
The IUPAC name of 2,2-bis(but-3-enyl)-1,3-dioxolane (CID 121218097) is 2,2-bis(but-3-enyl)-1,3-dioxolane.
What is the SMILES notation for 2,2-bis(but-3-enyl)-1,3-dioxolane?
The canonical SMILES for 2,2-bis(but-3-enyl)-1,3-dioxolane is C=CCCC1(CCC=C)OCCO1.
What is the InChIKey of 2,2-bis(but-3-enyl)-1,3-dioxolane?
The InChIKey is IKFIFYCGJCERPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-5-7-11(8-6-4-2)12-9-10-13-11/h3-4H,1-2,5-10H2.
What are the key properties of 2,2-bis(but-3-enyl)-1,3-dioxolane?
2,2-bis(but-3-enyl)-1,3-dioxolane has a molecular weight of 182.26 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(but-3-enyl)-1,3-dioxolane is sourced from PubChem (CID 121218097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).