3-butoxy-3-propylcyclopropane-1,2-dione

C10H16O3 — CID 141223246

IUPAC3-butoxy-3-propylcyclopropane-1,2-dione
SMILESCCCCOC1(CCC)C(=O)C1=O
InChIInChI=1S/C10H16O3/c1-3-5-7-13-10(6-4-2)8(11)9(10)12/h3-7H2,1-2H3
InChIKeyVKJWCFOOHAAWSM-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.49
Rot. Bonds6

About 3-butoxy-3-propylcyclopropane-1,2-dione

3-butoxy-3-propylcyclopropane-1,2-dione (PubChem CID 141223246) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 3-butoxy-3-propylcyclopropane-1,2-dione.

Molecular Properties

Compound Name3-butoxy-3-propylcyclopropane-1,2-dione
PubChem CID141223246
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name3-butoxy-3-propylcyclopropane-1,2-dione
SMILESCCCCOC1(CCC)C(=O)C1=O
InChIInChI=1S/C10H16O3/c1-3-5-7-13-10(6-4-2)8(11)9(10)12/h3-7H2,1-2H3
InChIKeyVKJWCFOOHAAWSM-UHFFFAOYSA-N
XLogP1.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-butoxy-3-propylcyclopropane-1,2-dione?
The IUPAC name of 3-butoxy-3-propylcyclopropane-1,2-dione (CID 141223246) is 3-butoxy-3-propylcyclopropane-1,2-dione.
What is the SMILES notation for 3-butoxy-3-propylcyclopropane-1,2-dione?
The canonical SMILES for 3-butoxy-3-propylcyclopropane-1,2-dione is CCCCOC1(CCC)C(=O)C1=O.
What is the InChIKey of 3-butoxy-3-propylcyclopropane-1,2-dione?
The InChIKey is VKJWCFOOHAAWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-5-7-13-10(6-4-2)8(11)9(10)12/h3-7H2,1-2H3.
What are the key properties of 3-butoxy-3-propylcyclopropane-1,2-dione?
3-butoxy-3-propylcyclopropane-1,2-dione has a molecular weight of 184.23 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-3-propylcyclopropane-1,2-dione is sourced from PubChem (CID 141223246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).