7-methyl-1-[2-[2-[2-(6-methyl-3-oxoheptoxy)ethoxy]ethoxy]ethoxy]octan-4-one

C23H44O6 — CID 157073137

IUPAC7-methyl-1-[2-[2-[2-(6-methyl-3-oxoheptoxy)ethoxy]ethoxy]ethoxy]octan-4-one
SMILESCC(C)CCC(=O)CCCOCCOCCOCCOCCC(=O)CCC(C)C
InChIInChI=1S/C23H44O6/c1-20(2)7-9-22(24)6-5-12-26-14-16-28-18-19-29-17-15-27-13-11-23(25)10-8-21(3)4/h20-21H,5-19H2,1-4H3
InChIKeyACQWDSAVHYPCQW-UHFFFAOYSA-N
MW416.60 g/mol
LogP4.23
Rot. Bonds22

About 7-methyl-1-[2-[2-[2-(6-methyl-3-oxoheptoxy)ethoxy]ethoxy]ethoxy]octan-4-one

7-methyl-1-[2-[2-[2-(6-methyl-3-oxoheptoxy)ethoxy]ethoxy]ethoxy]octan-4-one (PubChem CID 157073137) has the molecular formula C23H44O6 and a molecular weight of 416.60 g/mol. Its IUPAC name is 7-methyl-1-[2-[2-[2-(6-methyl-3-oxoheptoxy)ethoxy]ethoxy]ethoxy]octan-4-one.

Molecular Properties

Compound Name7-methyl-1-[2-[2-[2-(6-methyl-3-oxoheptoxy)ethoxy]ethoxy]ethoxy]octan-4-one
PubChem CID157073137
Molecular FormulaC23H44O6
Molecular Weight416.60 g/mol
Exact Mass416.31
IUPAC Name7-methyl-1-[2-[2-[2-(6-methyl-3-oxoheptoxy)ethoxy]ethoxy]ethoxy]octan-4-one
SMILESCC(C)CCC(=O)CCCOCCOCCOCCOCCC(=O)CCC(C)C
InChIInChI=1S/C23H44O6/c1-20(2)7-9-22(24)6-5-12-26-14-16-28-18-19-29-17-15-27-13-11-23(25)10-8-21(3)4/h20-21H,5-19H2,1-4H3
InChIKeyACQWDSAVHYPCQW-UHFFFAOYSA-N
XLogP4.23
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.60
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-methyl-1-[2-[2-[2-(6-methyl-3-oxoheptoxy)ethoxy]ethoxy]ethoxy]octan-4-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

6-(3-methylbutoxy)-1-propan-2-yloxyhexan-3-one
CID 148918739
1-(3-methylbutoxy)heptan-4-one
CID 61484387
6-(3-methylbutoxy)-1-propan-2-yloxyhexan-3-one;3-methyl-1-propan-2-yloxybutane
CID 162169211
1-(2-azidoethoxy)-7-methyloctan-4-one
CID 163475475
14-methyl-1-(3-methylbutoxy)pentadecane-4,8-dione
CID 163560833
6-methyl-1-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]heptan-4-one
CID 158471590
5-methyl-1-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexan-2-one
CID 157179332
1-(2-methylpropoxy)-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]hexan-3-one
CID 161342010
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-7-sulfanyloctan-4-one
CID 159232604
(5S)-1,11-bis[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]-5-methylundecane-4,8-dione
CID 162006820
6-methyl-1-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-4-one
CID 164986006
1-bromo-7-methyloctan-4-one
CID 106798810

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[2-[2-[2-(6-methyl-3-oxoheptoxy)ethoxy]ethoxy]ethoxy]octan-4-one?
The IUPAC name of 7-methyl-1-[2-[2-[2-(6-methyl-3-oxoheptoxy)ethoxy]ethoxy]ethoxy]octan-4-one (CID 157073137) is 7-methyl-1-[2-[2-[2-(6-methyl-3-oxoheptoxy)ethoxy]ethoxy]ethoxy]octan-4-one.
What is the SMILES notation for 7-methyl-1-[2-[2-[2-(6-methyl-3-oxoheptoxy)ethoxy]ethoxy]ethoxy]octan-4-one?
The canonical SMILES for 7-methyl-1-[2-[2-[2-(6-methyl-3-oxoheptoxy)ethoxy]ethoxy]ethoxy]octan-4-one is CC(C)CCC(=O)CCCOCCOCCOCCOCCC(=O)CCC(C)C.
What is the InChIKey of 7-methyl-1-[2-[2-[2-(6-methyl-3-oxoheptoxy)ethoxy]ethoxy]ethoxy]octan-4-one?
The InChIKey is ACQWDSAVHYPCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44O6/c1-20(2)7-9-22(24)6-5-12-26-14-16-28-18-19-29-17-15-27-13-11-23(25)10-8-21(3)4/h20-21H,5-19H2,1-4H3.
What are the key properties of 7-methyl-1-[2-[2-[2-(6-methyl-3-oxoheptoxy)ethoxy]ethoxy]ethoxy]octan-4-one?
7-methyl-1-[2-[2-[2-(6-methyl-3-oxoheptoxy)ethoxy]ethoxy]ethoxy]octan-4-one has a molecular weight of 416.60 g/mol, XLogP of 4.23, 22 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[2-[2-[2-(6-methyl-3-oxoheptoxy)ethoxy]ethoxy]ethoxy]octan-4-one is sourced from PubChem (CID 157073137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).