2,4-dimethyl-4-(3-methyl-3-propoxybutoxy)pent-1-en-3-one

C15H28O3 — CID 134593464

IUPAC2,4-dimethyl-4-(3-methyl-3-propoxybutoxy)pent-1-en-3-one
SMILESC=C(C)C(=O)C(C)(C)OCCC(C)(C)OCCC
InChIInChI=1S/C15H28O3/c1-8-10-17-14(4,5)9-11-18-15(6,7)13(16)12(2)3/h2,8-11H2,1,3-7H3
InChIKeyUTTFNKZEZXZYRX-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.52
Rot. Bonds9

About 2,4-dimethyl-4-(3-methyl-3-propoxybutoxy)pent-1-en-3-one

2,4-dimethyl-4-(3-methyl-3-propoxybutoxy)pent-1-en-3-one (PubChem CID 134593464) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2,4-dimethyl-4-(3-methyl-3-propoxybutoxy)pent-1-en-3-one.

Molecular Properties

Compound Name2,4-dimethyl-4-(3-methyl-3-propoxybutoxy)pent-1-en-3-one
PubChem CID134593464
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name2,4-dimethyl-4-(3-methyl-3-propoxybutoxy)pent-1-en-3-one
SMILESC=C(C)C(=O)C(C)(C)OCCC(C)(C)OCCC
InChIInChI=1S/C15H28O3/c1-8-10-17-14(4,5)9-11-18-15(6,7)13(16)12(2)3/h2,8-11H2,1,3-7H3
InChIKeyUTTFNKZEZXZYRX-UHFFFAOYSA-N
XLogP3.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2,4-dimethyl-4-(3-methyl-3-propoxybutoxy)pent-1-en-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 2,4-dimethyl-4-(3-methyl-3-propoxybutoxy)pent-1-en-3-one?
The IUPAC name of 2,4-dimethyl-4-(3-methyl-3-propoxybutoxy)pent-1-en-3-one (CID 134593464) is 2,4-dimethyl-4-(3-methyl-3-propoxybutoxy)pent-1-en-3-one.
What is the SMILES notation for 2,4-dimethyl-4-(3-methyl-3-propoxybutoxy)pent-1-en-3-one?
The canonical SMILES for 2,4-dimethyl-4-(3-methyl-3-propoxybutoxy)pent-1-en-3-one is C=C(C)C(=O)C(C)(C)OCCC(C)(C)OCCC.
What is the InChIKey of 2,4-dimethyl-4-(3-methyl-3-propoxybutoxy)pent-1-en-3-one?
The InChIKey is UTTFNKZEZXZYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-8-10-17-14(4,5)9-11-18-15(6,7)13(16)12(2)3/h2,8-11H2,1,3-7H3.
What are the key properties of 2,4-dimethyl-4-(3-methyl-3-propoxybutoxy)pent-1-en-3-one?
2,4-dimethyl-4-(3-methyl-3-propoxybutoxy)pent-1-en-3-one has a molecular weight of 256.39 g/mol, XLogP of 3.52, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-(3-methyl-3-propoxybutoxy)pent-1-en-3-one is sourced from PubChem (CID 134593464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).