7-hydroxy-8-(2-methoxyethoxy)-2-methyloctan-4-one

C12H24O4 — CID 106991321

IUPAC7-hydroxy-8-(2-methoxyethoxy)-2-methyloctan-4-one
SMILESCOCCOCC(O)CCC(=O)CC(C)C
InChIInChI=1S/C12H24O4/c1-10(2)8-11(13)4-5-12(14)9-16-7-6-15-3/h10,12,14H,4-9H2,1-3H3
InChIKeyHDMCTBLEYHQJKV-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.41
Rot. Bonds10

About 7-hydroxy-8-(2-methoxyethoxy)-2-methyloctan-4-one

7-hydroxy-8-(2-methoxyethoxy)-2-methyloctan-4-one (PubChem CID 106991321) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 7-hydroxy-8-(2-methoxyethoxy)-2-methyloctan-4-one.

Molecular Properties

Compound Name7-hydroxy-8-(2-methoxyethoxy)-2-methyloctan-4-one
PubChem CID106991321
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name7-hydroxy-8-(2-methoxyethoxy)-2-methyloctan-4-one
SMILESCOCCOCC(O)CCC(=O)CC(C)C
InChIInChI=1S/C12H24O4/c1-10(2)8-11(13)4-5-12(14)9-16-7-6-15-3/h10,12,14H,4-9H2,1-3H3
InChIKeyHDMCTBLEYHQJKV-UHFFFAOYSA-N
XLogP1.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethoxy)heptane-2,5-diol
CID 106992811
6-methyl-1-[2-(2-methylpropoxy)ethoxy]heptan-4-one
CID 159838894
5-methyl-1-(5-methyl-3-oxohexoxy)hexan-3-one
CID 57139233
6-methyl-1-[2-[2-(6-methyl-4-oxoheptoxy)ethoxy]ethoxy]heptan-4-one
CID 158471590
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
5-methyl-1-(3-methylbutoxy)hexan-3-one
CID 114998670
1-[bis(2-methylpropyl)amino]-3-(2-methoxyethoxy)propan-2-ol
CID 106991798
1-chloro-3-(2-methoxyethoxy)propan-2-ol
CID 4581090
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1,2-diol
CID 88556608
1-[2-(2-methoxyethoxy)ethoxy]octan-2-ol
CID 150741605
4-[2-hydroxy-3-(3-hydroxy-4-methoxybutoxy)propoxy]-1-methoxybutan-2-ol
CID 177262204

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-(2-methoxyethoxy)-2-methyloctan-4-one?
The IUPAC name of 7-hydroxy-8-(2-methoxyethoxy)-2-methyloctan-4-one (CID 106991321) is 7-hydroxy-8-(2-methoxyethoxy)-2-methyloctan-4-one.
What is the SMILES notation for 7-hydroxy-8-(2-methoxyethoxy)-2-methyloctan-4-one?
The canonical SMILES for 7-hydroxy-8-(2-methoxyethoxy)-2-methyloctan-4-one is COCCOCC(O)CCC(=O)CC(C)C.
What is the InChIKey of 7-hydroxy-8-(2-methoxyethoxy)-2-methyloctan-4-one?
The InChIKey is HDMCTBLEYHQJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-10(2)8-11(13)4-5-12(14)9-16-7-6-15-3/h10,12,14H,4-9H2,1-3H3.
What are the key properties of 7-hydroxy-8-(2-methoxyethoxy)-2-methyloctan-4-one?
7-hydroxy-8-(2-methoxyethoxy)-2-methyloctan-4-one has a molecular weight of 232.32 g/mol, XLogP of 1.41, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-(2-methoxyethoxy)-2-methyloctan-4-one is sourced from PubChem (CID 106991321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).