1-cyclopropyl-5,5-dimethyl-2-prop-2-enoxyhexan-3-one

C14H24O2 — CID 59143502

IUPAC1-cyclopropyl-5,5-dimethyl-2-prop-2-enoxyhexan-3-one
SMILESC=CCOC(CC1CC1)C(=O)CC(C)(C)C
InChIInChI=1S/C14H24O2/c1-5-8-16-13(9-11-6-7-11)12(15)10-14(2,3)4/h5,11,13H,1,6-10H2,2-4H3
InChIKeyONCQYXDSFFZCAA-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.36
Rot. Bonds7

About 1-cyclopropyl-5,5-dimethyl-2-prop-2-enoxyhexan-3-one

1-cyclopropyl-5,5-dimethyl-2-prop-2-enoxyhexan-3-one (PubChem CID 59143502) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-cyclopropyl-5,5-dimethyl-2-prop-2-enoxyhexan-3-one.

Molecular Properties

Compound Name1-cyclopropyl-5,5-dimethyl-2-prop-2-enoxyhexan-3-one
PubChem CID59143502
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-cyclopropyl-5,5-dimethyl-2-prop-2-enoxyhexan-3-one
SMILESC=CCOC(CC1CC1)C(=O)CC(C)(C)C
InChIInChI=1S/C14H24O2/c1-5-8-16-13(9-11-6-7-11)12(15)10-14(2,3)4/h5,11,13H,1,6-10H2,2-4H3
InChIKeyONCQYXDSFFZCAA-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-5,5-dimethyl-2-prop-2-enoxyhexan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5,5-dimethyl-2-prop-2-enoxyhexan-3-one?
The IUPAC name of 1-cyclopropyl-5,5-dimethyl-2-prop-2-enoxyhexan-3-one (CID 59143502) is 1-cyclopropyl-5,5-dimethyl-2-prop-2-enoxyhexan-3-one.
What is the SMILES notation for 1-cyclopropyl-5,5-dimethyl-2-prop-2-enoxyhexan-3-one?
The canonical SMILES for 1-cyclopropyl-5,5-dimethyl-2-prop-2-enoxyhexan-3-one is C=CCOC(CC1CC1)C(=O)CC(C)(C)C.
What is the InChIKey of 1-cyclopropyl-5,5-dimethyl-2-prop-2-enoxyhexan-3-one?
The InChIKey is ONCQYXDSFFZCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-5-8-16-13(9-11-6-7-11)12(15)10-14(2,3)4/h5,11,13H,1,6-10H2,2-4H3.
What are the key properties of 1-cyclopropyl-5,5-dimethyl-2-prop-2-enoxyhexan-3-one?
1-cyclopropyl-5,5-dimethyl-2-prop-2-enoxyhexan-3-one has a molecular weight of 224.34 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5,5-dimethyl-2-prop-2-enoxyhexan-3-one is sourced from PubChem (CID 59143502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).