6-methyl-1-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-4-one

C24H46O8 — CID 164986006

IUPAC6-methyl-1-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-4-one
SMILESCC(C)CC(=O)CCCOCCOCCOCCOCCOCCOCCC(=O)C(C)C
InChIInChI=1S/C24H46O8/c1-21(2)20-23(25)6-5-8-27-10-12-29-14-16-31-18-19-32-17-15-30-13-11-28-9-7-24(26)22(3)4/h21-22H,5-20H2,1-4H3
InChIKeyFHDZUVZBHXJAIL-UHFFFAOYSA-N
MW462.62 g/mol
LogP3.10
Rot. Bonds25

About 6-methyl-1-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-4-one

6-methyl-1-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-4-one (PubChem CID 164986006) has the molecular formula C24H46O8 and a molecular weight of 462.62 g/mol. Its IUPAC name is 6-methyl-1-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-4-one.

Molecular Properties

Compound Name6-methyl-1-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-4-one
PubChem CID164986006
Molecular FormulaC24H46O8
Molecular Weight462.62 g/mol
Exact Mass462.32
IUPAC Name6-methyl-1-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-4-one
SMILESCC(C)CC(=O)CCCOCCOCCOCCOCCOCCOCCC(=O)C(C)C
InChIInChI=1S/C24H46O8/c1-21(2)20-23(25)6-5-8-27-10-12-29-14-16-31-18-19-32-17-15-30-13-11-28-9-7-24(26)22(3)4/h21-22H,5-20H2,1-4H3
InChIKeyFHDZUVZBHXJAIL-UHFFFAOYSA-N
XLogP3.10
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-1-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]heptan-4-one
CID 158471590
2-methyl-10-[2-(7-methyl-5-oxooctoxy)ethoxy]decane-3,7-dione
CID 159032756
6-methyl-1-[2-(2-methylpropoxy)ethoxy]heptan-4-one
CID 159838894
1-(5-bromo-4-oxopentoxy)-4-methylpentan-3-one
CID 147170335
2,9-dimethyldecane-3,7-dione;2,10-dimethylundecane-4,8-dione
CID 167631647
5-methyl-1-(5-methyl-3-oxohexoxy)hexan-3-one
CID 57139233
2-methyl-N-[2-[2-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 158884270
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-(6-methylheptoxy)pentan-3-one
CID 118441422
2-methyl-6-[2-(7-methyloctoxy)ethoxy]hexan-3-one
CID 164970854
1-[2-(4,4-dimethylpentoxy)ethoxy]-4-methylpentan-3-one
CID 152997750
4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one
CID 140823499

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-4-one?
The IUPAC name of 6-methyl-1-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-4-one (CID 164986006) is 6-methyl-1-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-4-one.
What is the SMILES notation for 6-methyl-1-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-4-one?
The canonical SMILES for 6-methyl-1-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-4-one is CC(C)CC(=O)CCCOCCOCCOCCOCCOCCOCCC(=O)C(C)C.
What is the InChIKey of 6-methyl-1-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-4-one?
The InChIKey is FHDZUVZBHXJAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O8/c1-21(2)20-23(25)6-5-8-27-10-12-29-14-16-31-18-19-32-17-15-30-13-11-28-9-7-24(26)22(3)4/h21-22H,5-20H2,1-4H3.
What are the key properties of 6-methyl-1-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-4-one?
6-methyl-1-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-4-one has a molecular weight of 462.62 g/mol, XLogP of 3.10, 25 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-4-one is sourced from PubChem (CID 164986006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).