5-ethenyl-4,4-diethyl-1,3-dioxolan-2-one

C9H14O3 — CID 101343768

IUPAC5-ethenyl-4,4-diethyl-1,3-dioxolan-2-one
SMILESC=CC1OC(=O)OC1(CC)CC
InChIInChI=1S/C9H14O3/c1-4-7-9(5-2,6-3)12-8(10)11-7/h4,7H,1,5-6H2,2-3H3
InChIKeyFTDNUXJXHQXNBC-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.27
Rot. Bonds3

About 5-ethenyl-4,4-diethyl-1,3-dioxolan-2-one

5-ethenyl-4,4-diethyl-1,3-dioxolan-2-one (PubChem CID 101343768) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 5-ethenyl-4,4-diethyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name5-ethenyl-4,4-diethyl-1,3-dioxolan-2-one
PubChem CID101343768
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name5-ethenyl-4,4-diethyl-1,3-dioxolan-2-one
SMILESC=CC1OC(=O)OC1(CC)CC
InChIInChI=1S/C9H14O3/c1-4-7-9(5-2,6-3)12-8(10)11-7/h4,7H,1,5-6H2,2-3H3
InChIKeyFTDNUXJXHQXNBC-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-ethenyl-4,4-diethyl-1,3-dioxolan-2-one?
The IUPAC name of 5-ethenyl-4,4-diethyl-1,3-dioxolan-2-one (CID 101343768) is 5-ethenyl-4,4-diethyl-1,3-dioxolan-2-one.
What is the SMILES notation for 5-ethenyl-4,4-diethyl-1,3-dioxolan-2-one?
The canonical SMILES for 5-ethenyl-4,4-diethyl-1,3-dioxolan-2-one is C=CC1OC(=O)OC1(CC)CC.
What is the InChIKey of 5-ethenyl-4,4-diethyl-1,3-dioxolan-2-one?
The InChIKey is FTDNUXJXHQXNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-4-7-9(5-2,6-3)12-8(10)11-7/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 5-ethenyl-4,4-diethyl-1,3-dioxolan-2-one?
5-ethenyl-4,4-diethyl-1,3-dioxolan-2-one has a molecular weight of 170.21 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4,4-diethyl-1,3-dioxolan-2-one is sourced from PubChem (CID 101343768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).