2-methyl-10-[2-(7-methyl-5-oxooctoxy)ethoxy]decane-3,7-dione

C22H40O5 — CID 159032756

IUPAC2-methyl-10-[2-(7-methyl-5-oxooctoxy)ethoxy]decane-3,7-dione
SMILESCC(C)CC(=O)CCCCOCCOCCCC(=O)CCCC(=O)C(C)C
InChIInChI=1S/C22H40O5/c1-18(2)17-21(24)9-5-6-13-26-15-16-27-14-8-11-20(23)10-7-12-22(25)19(3)4/h18-19H,5-17H2,1-4H3
InChIKeyAXGVNEZPCRZPDQ-UHFFFAOYSA-N
MW384.56 g/mol
LogP4.55
Rot. Bonds19

About 2-methyl-10-[2-(7-methyl-5-oxooctoxy)ethoxy]decane-3,7-dione

2-methyl-10-[2-(7-methyl-5-oxooctoxy)ethoxy]decane-3,7-dione (PubChem CID 159032756) has the molecular formula C22H40O5 and a molecular weight of 384.56 g/mol. Its IUPAC name is 2-methyl-10-[2-(7-methyl-5-oxooctoxy)ethoxy]decane-3,7-dione.

Molecular Properties

Compound Name2-methyl-10-[2-(7-methyl-5-oxooctoxy)ethoxy]decane-3,7-dione
PubChem CID159032756
Molecular FormulaC22H40O5
Molecular Weight384.56 g/mol
Exact Mass384.29
IUPAC Name2-methyl-10-[2-(7-methyl-5-oxooctoxy)ethoxy]decane-3,7-dione
SMILESCC(C)CC(=O)CCCCOCCOCCCC(=O)CCCC(=O)C(C)C
InChIInChI=1S/C22H40O5/c1-18(2)17-21(24)9-5-6-13-26-15-16-27-14-8-11-20(23)10-7-12-22(25)19(3)4/h18-19H,5-17H2,1-4H3
InChIKeyAXGVNEZPCRZPDQ-UHFFFAOYSA-N
XLogP4.55
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-1-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-4-one
CID 164986006
6-methyl-1-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]heptan-4-one
CID 158471590
2,9-dimethyldecane-3,7-dione;2,10-dimethylundecane-4,8-dione
CID 167631647
6-methyl-1-[2-(2-methylpropoxy)ethoxy]heptan-4-one
CID 159838894
2-methyl-8-[2-[2-(7-methyloctoxy)ethoxy]ethoxy]octan-3-one
CID 170679761
2-methyl-6-[2-(7-methyloctoxy)ethoxy]hexan-3-one
CID 164970854
8-(2-methoxyethoxy)-2-methyloctan-3-one
CID 103413613
2-methyl-N-[2-[2-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 158884270
1-(5-bromo-4-oxopentoxy)-4-methylpentan-3-one
CID 147170335
5-methyl-1-[2-[2-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexan-2-one
CID 157179332
5-methyl-1-(5-methyl-3-oxohexoxy)hexan-3-one
CID 57139233
14-methyl-1-(3-methylbutoxy)pentadecane-4,8-dione
CID 163560833

Frequently Asked Questions

What is the IUPAC name of 2-methyl-10-[2-(7-methyl-5-oxooctoxy)ethoxy]decane-3,7-dione?
The IUPAC name of 2-methyl-10-[2-(7-methyl-5-oxooctoxy)ethoxy]decane-3,7-dione (CID 159032756) is 2-methyl-10-[2-(7-methyl-5-oxooctoxy)ethoxy]decane-3,7-dione.
What is the SMILES notation for 2-methyl-10-[2-(7-methyl-5-oxooctoxy)ethoxy]decane-3,7-dione?
The canonical SMILES for 2-methyl-10-[2-(7-methyl-5-oxooctoxy)ethoxy]decane-3,7-dione is CC(C)CC(=O)CCCCOCCOCCCC(=O)CCCC(=O)C(C)C.
What is the InChIKey of 2-methyl-10-[2-(7-methyl-5-oxooctoxy)ethoxy]decane-3,7-dione?
The InChIKey is AXGVNEZPCRZPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O5/c1-18(2)17-21(24)9-5-6-13-26-15-16-27-14-8-11-20(23)10-7-12-22(25)19(3)4/h18-19H,5-17H2,1-4H3.
What are the key properties of 2-methyl-10-[2-(7-methyl-5-oxooctoxy)ethoxy]decane-3,7-dione?
2-methyl-10-[2-(7-methyl-5-oxooctoxy)ethoxy]decane-3,7-dione has a molecular weight of 384.56 g/mol, XLogP of 4.55, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-10-[2-(7-methyl-5-oxooctoxy)ethoxy]decane-3,7-dione is sourced from PubChem (CID 159032756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).