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

C10H16O3 — CID 15196293

IUPAC4-ethenyl-5-pentyl-1,3-dioxolan-2-one
SMILESC=CC1OC(=O)OC1CCCCC
InChIInChI=1S/C10H16O3/c1-3-5-6-7-9-8(4-2)12-10(11)13-9/h4,8-9H,2-3,5-7H2,1H3
InChIKeyNUQUFSQKUQPLLG-UHFFFAOYSA-N
MW184.23 g/mol
LogP2.66
Rot. Bonds5

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

4-ethenyl-5-pentyl-1,3-dioxolan-2-one (PubChem CID 15196293) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 4-ethenyl-5-pentyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-ethenyl-5-pentyl-1,3-dioxolan-2-one
PubChem CID15196293
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name4-ethenyl-5-pentyl-1,3-dioxolan-2-one
SMILESC=CC1OC(=O)OC1CCCCC
InChIInChI=1S/C10H16O3/c1-3-5-6-7-9-8(4-2)12-10(11)13-9/h4,8-9H,2-3,5-7H2,1H3
InChIKeyNUQUFSQKUQPLLG-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-pentyl-1,3-dioxolan-2-one?
The IUPAC name of 4-ethenyl-5-pentyl-1,3-dioxolan-2-one (CID 15196293) is 4-ethenyl-5-pentyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-ethenyl-5-pentyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-ethenyl-5-pentyl-1,3-dioxolan-2-one is C=CC1OC(=O)OC1CCCCC.
What is the InChIKey of 4-ethenyl-5-pentyl-1,3-dioxolan-2-one?
The InChIKey is NUQUFSQKUQPLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-5-6-7-9-8(4-2)12-10(11)13-9/h4,8-9H,2-3,5-7H2,1H3.
What are the key properties of 4-ethenyl-5-pentyl-1,3-dioxolan-2-one?
4-ethenyl-5-pentyl-1,3-dioxolan-2-one has a molecular weight of 184.23 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-pentyl-1,3-dioxolan-2-one is sourced from PubChem (CID 15196293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).