2-but-3-enyl-2-ethyl-1,3-dioxolane

C9H16O2 — CID 135038706

IUPAC2-but-3-enyl-2-ethyl-1,3-dioxolane
SMILESC=CCCC1(CC)OCCO1
InChIInChI=1S/C9H16O2/c1-3-5-6-9(4-2)10-7-8-11-9/h3H,1,4-8H2,2H3
InChIKeyBZMYNWZQINNDLU-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.11
Rot. Bonds4

About 2-but-3-enyl-2-ethyl-1,3-dioxolane

2-but-3-enyl-2-ethyl-1,3-dioxolane (PubChem CID 135038706) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-but-3-enyl-2-ethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-but-3-enyl-2-ethyl-1,3-dioxolane
PubChem CID135038706
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-but-3-enyl-2-ethyl-1,3-dioxolane
SMILESC=CCCC1(CC)OCCO1
InChIInChI=1S/C9H16O2/c1-3-5-6-9(4-2)10-7-8-11-9/h3H,1,4-8H2,2H3
InChIKeyBZMYNWZQINNDLU-UHFFFAOYSA-N
XLogP2.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.11
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-but-3-enyl-2-ethyl-1,3-dioxolane?
The IUPAC name of 2-but-3-enyl-2-ethyl-1,3-dioxolane (CID 135038706) is 2-but-3-enyl-2-ethyl-1,3-dioxolane.
What is the SMILES notation for 2-but-3-enyl-2-ethyl-1,3-dioxolane?
The canonical SMILES for 2-but-3-enyl-2-ethyl-1,3-dioxolane is C=CCCC1(CC)OCCO1.
What is the InChIKey of 2-but-3-enyl-2-ethyl-1,3-dioxolane?
The InChIKey is BZMYNWZQINNDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-6-9(4-2)10-7-8-11-9/h3H,1,4-8H2,2H3.
What are the key properties of 2-but-3-enyl-2-ethyl-1,3-dioxolane?
2-but-3-enyl-2-ethyl-1,3-dioxolane has a molecular weight of 156.22 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-2-ethyl-1,3-dioxolane is sourced from PubChem (CID 135038706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).