11,11-dimethyl-1-propan-2-yloxydodecane-2,10-dione

C17H32O3 — CID 158079491

IUPAC11,11-dimethyl-1-propan-2-yloxydodecane-2,10-dione
SMILESCC(C)OCC(=O)CCCCCCCC(=O)C(C)(C)C
InChIInChI=1S/C17H32O3/c1-14(2)20-13-15(18)11-9-7-6-8-10-12-16(19)17(3,4)5/h14H,6-13H2,1-5H3
InChIKeyFMTWAWQDIALUOF-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.33
Rot. Bonds11

About 11,11-dimethyl-1-propan-2-yloxydodecane-2,10-dione

11,11-dimethyl-1-propan-2-yloxydodecane-2,10-dione (PubChem CID 158079491) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 11,11-dimethyl-1-propan-2-yloxydodecane-2,10-dione.

Molecular Properties

Compound Name11,11-dimethyl-1-propan-2-yloxydodecane-2,10-dione
PubChem CID158079491
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name11,11-dimethyl-1-propan-2-yloxydodecane-2,10-dione
SMILESCC(C)OCC(=O)CCCCCCCC(=O)C(C)(C)C
InChIInChI=1S/C17H32O3/c1-14(2)20-13-15(18)11-9-7-6-8-10-12-16(19)17(3,4)5/h14H,6-13H2,1-5H3
InChIKeyFMTWAWQDIALUOF-UHFFFAOYSA-N
XLogP4.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-1-propan-2-yloxybutan-2-one
CID 43798828
1-iodo-10,10-dimethylundecane-2,9-dione
CID 157286345
2,2,14,14-tetramethylpentadecane-3,11-dione
CID 162694763
2,13,13-trimethyl-6,12-dioxotetradecanal
CID 57233861
2-methyl-N-(4-oxo-5-propan-2-yloxypentyl)propanamide
CID 161489281
17,17-dimethyl-16-oxooctadecanoic acid
CID 139546409
3-hydroxy-3-methyl-9-propan-2-yloxynonan-4-one
CID 89425948
7-methoxy-2,2-dimethylheptan-3-one
CID 58592140
3,3-dimethyl-1-(2-propan-2-yloxyethoxy)butan-2-one
CID 43799168
N-[3-[3-[2-[(3,9-dioxo-13-propan-2-yloxytridecoxy)methyl]-16,16-dimethyl-4,15-dioxo-2-[(9-oxo-13-propan-2-yloxytridecoxy)methyl]heptadecoxy]propanoylamino]propyl]-5-propan-2-yloxypentanamide
CID 167663213
methyl 11,19,19-trimethyl-18-oxoicosaneperoxoate
CID 126725505
6-(5,5-dimethyl-4-oxohexoxy)-2,2-dimethylhexan-3-one
CID 148963643

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-1-propan-2-yloxydodecane-2,10-dione?
The IUPAC name of 11,11-dimethyl-1-propan-2-yloxydodecane-2,10-dione (CID 158079491) is 11,11-dimethyl-1-propan-2-yloxydodecane-2,10-dione.
What is the SMILES notation for 11,11-dimethyl-1-propan-2-yloxydodecane-2,10-dione?
The canonical SMILES for 11,11-dimethyl-1-propan-2-yloxydodecane-2,10-dione is CC(C)OCC(=O)CCCCCCCC(=O)C(C)(C)C.
What is the InChIKey of 11,11-dimethyl-1-propan-2-yloxydodecane-2,10-dione?
The InChIKey is FMTWAWQDIALUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-14(2)20-13-15(18)11-9-7-6-8-10-12-16(19)17(3,4)5/h14H,6-13H2,1-5H3.
What are the key properties of 11,11-dimethyl-1-propan-2-yloxydodecane-2,10-dione?
11,11-dimethyl-1-propan-2-yloxydodecane-2,10-dione has a molecular weight of 284.44 g/mol, XLogP of 4.33, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-1-propan-2-yloxydodecane-2,10-dione is sourced from PubChem (CID 158079491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).