2,2-bis[(E)-prop-1-enyl]-1,3-dioxolane

C9H14O2 — CID 135079611

IUPAC2,2-bis[(E)-prop-1-enyl]-1,3-dioxolane
SMILESC/C=C/C1(/C=C/C)OCCO1
InChIInChI=1S/C9H14O2/c1-3-5-9(6-4-2)10-7-8-11-9/h3-6H,7-8H2,1-2H3/b5-3+,6-4+
InChIKeyQQOFOVHIDUPGRT-GGWOSOGESA-N
MW154.21 g/mol
LogP1.88
Rot. Bonds2

About 2,2-bis[(E)-prop-1-enyl]-1,3-dioxolane

2,2-bis[(E)-prop-1-enyl]-1,3-dioxolane (PubChem CID 135079611) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2,2-bis[(E)-prop-1-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name2,2-bis[(E)-prop-1-enyl]-1,3-dioxolane
PubChem CID135079611
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2,2-bis[(E)-prop-1-enyl]-1,3-dioxolane
SMILESC/C=C/C1(/C=C/C)OCCO1
InChIInChI=1S/C9H14O2/c1-3-5-9(6-4-2)10-7-8-11-9/h3-6H,7-8H2,1-2H3/b5-3+,6-4+
InChIKeyQQOFOVHIDUPGRT-GGWOSOGESA-N
XLogP1.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.88
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[(E)-prop-1-enyl]-1,3-dioxolane?
The IUPAC name of 2,2-bis[(E)-prop-1-enyl]-1,3-dioxolane (CID 135079611) is 2,2-bis[(E)-prop-1-enyl]-1,3-dioxolane.
What is the SMILES notation for 2,2-bis[(E)-prop-1-enyl]-1,3-dioxolane?
The canonical SMILES for 2,2-bis[(E)-prop-1-enyl]-1,3-dioxolane is C/C=C/C1(/C=C/C)OCCO1.
What is the InChIKey of 2,2-bis[(E)-prop-1-enyl]-1,3-dioxolane?
The InChIKey is QQOFOVHIDUPGRT-GGWOSOGESA-N. The full InChI is InChI=1S/C9H14O2/c1-3-5-9(6-4-2)10-7-8-11-9/h3-6H,7-8H2,1-2H3/b5-3+,6-4+.
What are the key properties of 2,2-bis[(E)-prop-1-enyl]-1,3-dioxolane?
2,2-bis[(E)-prop-1-enyl]-1,3-dioxolane has a molecular weight of 154.21 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[(E)-prop-1-enyl]-1,3-dioxolane is sourced from PubChem (CID 135079611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).