1-[2-(4,4-dimethylpentoxy)ethoxy]-4-methylpentan-3-one

C15H30O3 — CID 152997750

IUPAC1-[2-(4,4-dimethylpentoxy)ethoxy]-4-methylpentan-3-one
SMILESCC(C)C(=O)CCOCCOCCCC(C)(C)C
InChIInChI=1S/C15H30O3/c1-13(2)14(16)7-10-18-12-11-17-9-6-8-15(3,4)5/h13H,6-12H2,1-5H3
InChIKeyUXODFSQDLRBXOH-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.46
Rot. Bonds10

About 1-[2-(4,4-dimethylpentoxy)ethoxy]-4-methylpentan-3-one

1-[2-(4,4-dimethylpentoxy)ethoxy]-4-methylpentan-3-one (PubChem CID 152997750) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-[2-(4,4-dimethylpentoxy)ethoxy]-4-methylpentan-3-one.

Molecular Properties

Compound Name1-[2-(4,4-dimethylpentoxy)ethoxy]-4-methylpentan-3-one
PubChem CID152997750
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name1-[2-(4,4-dimethylpentoxy)ethoxy]-4-methylpentan-3-one
SMILESCC(C)C(=O)CCOCCOCCCC(C)(C)C
InChIInChI=1S/C15H30O3/c1-13(2)14(16)7-10-18-12-11-17-9-6-8-15(3,4)5/h13H,6-12H2,1-5H3
InChIKeyUXODFSQDLRBXOH-UHFFFAOYSA-N
XLogP3.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(4,4-dimethylpentoxy)ethoxy]-4-methylpentan-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

Related Compounds

1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentan-3-one
CID 176767842
4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one
CID 140823499
6-methyl-1-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-4-one
CID 164986006
4-methyl-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one
CID 176650799
4-methyl-1-(6-methylheptoxy)pentan-3-one
CID 118441422
1-(5-bromo-4-oxopentoxy)-4-methylpentan-3-one
CID 147170335
4,4-dimethyl-1-[2-(2-propan-2-yloxyethoxy)ethoxy]pentane
CID 176777068
8-(2-methoxyethoxy)-2-methyloctan-3-one
CID 103413613
N-[2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-propan-2-ylsulfonylpropanamide
CID 167584800
1-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentan-3-one;ethane;molecular hydrogen
CID 176567607
4-methyl-1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]pentan-3-one
CID 135299160
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-dimethylpentoxy)ethoxy]-4-methylpentan-3-one?
The IUPAC name of 1-[2-(4,4-dimethylpentoxy)ethoxy]-4-methylpentan-3-one (CID 152997750) is 1-[2-(4,4-dimethylpentoxy)ethoxy]-4-methylpentan-3-one.
What is the SMILES notation for 1-[2-(4,4-dimethylpentoxy)ethoxy]-4-methylpentan-3-one?
The canonical SMILES for 1-[2-(4,4-dimethylpentoxy)ethoxy]-4-methylpentan-3-one is CC(C)C(=O)CCOCCOCCCC(C)(C)C.
What is the InChIKey of 1-[2-(4,4-dimethylpentoxy)ethoxy]-4-methylpentan-3-one?
The InChIKey is UXODFSQDLRBXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-13(2)14(16)7-10-18-12-11-17-9-6-8-15(3,4)5/h13H,6-12H2,1-5H3.
What are the key properties of 1-[2-(4,4-dimethylpentoxy)ethoxy]-4-methylpentan-3-one?
1-[2-(4,4-dimethylpentoxy)ethoxy]-4-methylpentan-3-one has a molecular weight of 258.40 g/mol, XLogP of 3.46, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-dimethylpentoxy)ethoxy]-4-methylpentan-3-one is sourced from PubChem (CID 152997750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).