propyl 4-cyclopropyl-3-oxobutanoate

C10H16O3 — CID 139840046

IUPACpropyl 4-cyclopropyl-3-oxobutanoate
SMILESCCCOC(=O)CC(=O)CC1CC1
InChIInChI=1S/C10H16O3/c1-2-5-13-10(12)7-9(11)6-8-3-4-8/h8H,2-7H2,1H3
InChIKeyRXSRTNXONNMFQQ-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.70
Rot. Bonds6

About propyl 4-cyclopropyl-3-oxobutanoate

propyl 4-cyclopropyl-3-oxobutanoate (PubChem CID 139840046) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is propyl 4-cyclopropyl-3-oxobutanoate.

Molecular Properties

Compound Namepropyl 4-cyclopropyl-3-oxobutanoate
PubChem CID139840046
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namepropyl 4-cyclopropyl-3-oxobutanoate
SMILESCCCOC(=O)CC(=O)CC1CC1
InChIInChI=1S/C10H16O3/c1-2-5-13-10(12)7-9(11)6-8-3-4-8/h8H,2-7H2,1H3
InChIKeyRXSRTNXONNMFQQ-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(4,4-dimethylcyclohexyl)-3-oxobutanoate
CID 90220571
propyl 2-(1-methylpiperidin-4-yl)acetate
CID 58281270
propyl 3-(4-ethylcyclohexyl)propanoate
CID 59863738
chloromethyl 4-cyclohexyl-3-oxobutanoate
CID 142768938
3-oxo-3-propoxypropanoate
CID 71358122
propyl 3-cyclopentylpropanoate
CID 43389546
4-cyclopropyl-3-oxobutanoic acid
CID 90972731
butane;3-oxo-3-propoxypropanoate
CID 22486022
lithium 3-oxo-3-propoxypropanoate
CID 87491607
hydride;3-oxo-3-propoxypropanoic acid;rubidium(1+)
CID 173091928
cyclopropanecarboxylic acid;propyl propanoate
CID 162163858
dipropyl 4,7-dioxodecanedioate
CID 174356334

Frequently Asked Questions

What is the IUPAC name of propyl 4-cyclopropyl-3-oxobutanoate?
The IUPAC name of propyl 4-cyclopropyl-3-oxobutanoate (CID 139840046) is propyl 4-cyclopropyl-3-oxobutanoate.
What is the SMILES notation for propyl 4-cyclopropyl-3-oxobutanoate?
The canonical SMILES for propyl 4-cyclopropyl-3-oxobutanoate is CCCOC(=O)CC(=O)CC1CC1.
What is the InChIKey of propyl 4-cyclopropyl-3-oxobutanoate?
The InChIKey is RXSRTNXONNMFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-5-13-10(12)7-9(11)6-8-3-4-8/h8H,2-7H2,1H3.
What are the key properties of propyl 4-cyclopropyl-3-oxobutanoate?
propyl 4-cyclopropyl-3-oxobutanoate has a molecular weight of 184.23 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-cyclopropyl-3-oxobutanoate is sourced from PubChem (CID 139840046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).