1-cyclopropyl-2,4-dimethylpentane-1,3-dione

C10H16O2 — CID 64920290

IUPAC1-cyclopropyl-2,4-dimethylpentane-1,3-dione
SMILESCC(C)C(=O)C(C)C(=O)C1CC1
InChIInChI=1S/C10H16O2/c1-6(2)9(11)7(3)10(12)8-4-5-8/h6-8H,4-5H2,1-3H3
InChIKeyYWXLRVIDNYVXMD-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.83
Rot. Bonds4

About 1-cyclopropyl-2,4-dimethylpentane-1,3-dione

1-cyclopropyl-2,4-dimethylpentane-1,3-dione (PubChem CID 64920290) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-cyclopropyl-2,4-dimethylpentane-1,3-dione.

Molecular Properties

Compound Name1-cyclopropyl-2,4-dimethylpentane-1,3-dione
PubChem CID64920290
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-cyclopropyl-2,4-dimethylpentane-1,3-dione
SMILESCC(C)C(=O)C(C)C(=O)C1CC1
InChIInChI=1S/C10H16O2/c1-6(2)9(11)7(3)10(12)8-4-5-8/h6-8H,4-5H2,1-3H3
InChIKeyYWXLRVIDNYVXMD-UHFFFAOYSA-N
XLogP1.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,4-dimethylpentane-1,3-dione?
The IUPAC name of 1-cyclopropyl-2,4-dimethylpentane-1,3-dione (CID 64920290) is 1-cyclopropyl-2,4-dimethylpentane-1,3-dione.
What is the SMILES notation for 1-cyclopropyl-2,4-dimethylpentane-1,3-dione?
The canonical SMILES for 1-cyclopropyl-2,4-dimethylpentane-1,3-dione is CC(C)C(=O)C(C)C(=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2,4-dimethylpentane-1,3-dione?
The InChIKey is YWXLRVIDNYVXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6(2)9(11)7(3)10(12)8-4-5-8/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-cyclopropyl-2,4-dimethylpentane-1,3-dione?
1-cyclopropyl-2,4-dimethylpentane-1,3-dione has a molecular weight of 168.24 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,4-dimethylpentane-1,3-dione is sourced from PubChem (CID 64920290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).