1-cyclopropyl-5-ethoxypentane-1,3-dione

C10H16O3 — CID 43139069

IUPAC1-cyclopropyl-5-ethoxypentane-1,3-dione
SMILESCCOCCC(=O)CC(=O)C1CC1
InChIInChI=1S/C10H16O3/c1-2-13-6-5-9(11)7-10(12)8-3-4-8/h8H,2-7H2,1H3
InChIKeyRYPVZMRMGNEBPK-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.35
Rot. Bonds7

About 1-cyclopropyl-5-ethoxypentane-1,3-dione

1-cyclopropyl-5-ethoxypentane-1,3-dione (PubChem CID 43139069) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-cyclopropyl-5-ethoxypentane-1,3-dione.

Molecular Properties

Compound Name1-cyclopropyl-5-ethoxypentane-1,3-dione
PubChem CID43139069
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1-cyclopropyl-5-ethoxypentane-1,3-dione
SMILESCCOCCC(=O)CC(=O)C1CC1
InChIInChI=1S/C10H16O3/c1-2-13-6-5-9(11)7-10(12)8-3-4-8/h8H,2-7H2,1H3
InChIKeyRYPVZMRMGNEBPK-UHFFFAOYSA-N
XLogP1.35
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.35
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'}

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Related Compounds

(E)-2-(2-cyclohexyl-2-oxoethyl)-3-(2-ethoxyethyl)but-2-enedioic acid
CID 22289259
methyl 8-cyclopropyl-6,8-dioxooctanoate
CID 154682999
cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120675923
3-ethoxy-1-(8-thiabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 171938455
1,9-diethoxynonan-5-one
CID 150666797
1-(4-butanoylcyclohexyl)butan-1-one
CID 21294983
4-[(2-ethoxyethylamino)methyl]cyclohexane-1-carboxylic acid
CID 79531975
4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide
CID 169158474
8-ethoxy-6-oxooctanoic acid
CID 154310113
3-(4-ethoxycyclohexyl)oxy-N-(4-propanoylcyclohexyl)propanamide
CID 167464210
1-(3-ethoxypropanoyl)piperidine-4-carboxylic acid
CID 53211434
N'-(2-cyclopentylacetyl)-3-ethoxypropanehydrazide
CID 54786394

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-ethoxypentane-1,3-dione?
The IUPAC name of 1-cyclopropyl-5-ethoxypentane-1,3-dione (CID 43139069) is 1-cyclopropyl-5-ethoxypentane-1,3-dione.
What is the SMILES notation for 1-cyclopropyl-5-ethoxypentane-1,3-dione?
The canonical SMILES for 1-cyclopropyl-5-ethoxypentane-1,3-dione is CCOCCC(=O)CC(=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-5-ethoxypentane-1,3-dione?
The InChIKey is RYPVZMRMGNEBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-13-6-5-9(11)7-10(12)8-3-4-8/h8H,2-7H2,1H3.
What are the key properties of 1-cyclopropyl-5-ethoxypentane-1,3-dione?
1-cyclopropyl-5-ethoxypentane-1,3-dione has a molecular weight of 184.23 g/mol, XLogP of 1.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-ethoxypentane-1,3-dione is sourced from PubChem (CID 43139069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).