3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxypentan-2-one

C13H26O3 — CID 167150248

IUPAC3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxypentan-2-one
SMILESCCC(C)C(=O)COC(C)(C)COC(C)C
InChIInChI=1S/C13H26O3/c1-7-11(4)12(14)8-16-13(5,6)9-15-10(2)3/h10-11H,7-9H2,1-6H3
InChIKeyOTVUCBGIELBUDS-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.82
Rot. Bonds8

About 3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxypentan-2-one

3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxypentan-2-one (PubChem CID 167150248) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxypentan-2-one.

Molecular Properties

Compound Name3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxypentan-2-one
PubChem CID167150248
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxypentan-2-one
SMILESCCC(C)C(=O)COC(C)(C)COC(C)C
InChIInChI=1S/C13H26O3/c1-7-11(4)12(14)8-16-13(5,6)9-15-10(2)3/h10-11H,7-9H2,1-6H3
InChIKeyOTVUCBGIELBUDS-UHFFFAOYSA-N
XLogP2.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxypentan-2-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-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-methylpentan-2-one
CID 102722495
3-(tert-butylamino)-1-propan-2-yloxypentan-2-one
CID 134460862
methanamine;3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxybutane
CID 178134897
1-(4-hydroxy-2-methylbutan-2-yl)oxy-3-methylbutan-2-one
CID 123147699
3,7,7-trimethyloctan-4-one
CID 63717585
N-[2-(2-methyl-1-propan-2-yloxypropan-2-yl)oxyethyl]formamide
CID 129273951
2-methyl-1-propan-2-yloxypropan-2-ol
CID 547751
3,3-dimethyl-1-propan-2-yloxybutan-2-one
CID 43798828
3,3-dimethyl-4-propan-2-yloxybutanoic acid
CID 81004424
2-methyl-6-propan-2-yloxy-5,5-bis(propan-2-yloxymethyl)hexan-3-one
CID 159574495
1,1-dimethoxy-5-methylheptane-2,4-dione
CID 165474571
N-ethyl-N-[1-(1-methoxy-2-methylpropan-2-yl)oxy-2-methylpropan-2-yl]-2-methylbutanamide
CID 177240091

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxypentan-2-one?
The IUPAC name of 3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxypentan-2-one (CID 167150248) is 3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxypentan-2-one.
What is the SMILES notation for 3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxypentan-2-one?
The canonical SMILES for 3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxypentan-2-one is CCC(C)C(=O)COC(C)(C)COC(C)C.
What is the InChIKey of 3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxypentan-2-one?
The InChIKey is OTVUCBGIELBUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-7-11(4)12(14)8-16-13(5,6)9-15-10(2)3/h10-11H,7-9H2,1-6H3.
What are the key properties of 3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxypentan-2-one?
3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxypentan-2-one has a molecular weight of 230.35 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)oxypentan-2-one is sourced from PubChem (CID 167150248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).