1-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]propan-2-one

C15H30O7 — CID 123174964

IUPAC1-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]propan-2-one
SMILESCOCCOCC(COCCOC)CC(O)COCC(C)=O
InChIInChI=1S/C15H30O7/c1-13(16)9-22-12-15(17)8-14(10-20-6-4-18-2)11-21-7-5-19-3/h14-15,17H,4-12H2,1-3H3
InChIKeySFMUZSRNGLZHPT-UHFFFAOYSA-N
MW322.40 g/mol
LogP0.29
Rot. Bonds16

About 1-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]propan-2-one

1-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]propan-2-one (PubChem CID 123174964) has the molecular formula C15H30O7 and a molecular weight of 322.40 g/mol. Its IUPAC name is 1-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]propan-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]propan-2-one
PubChem CID123174964
Molecular FormulaC15H30O7
Molecular Weight322.40 g/mol
Exact Mass322.20
IUPAC Name1-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]propan-2-one
SMILESCOCCOCC(COCCOC)CC(O)COCC(C)=O
InChIInChI=1S/C15H30O7/c1-13(16)9-22-12-15(17)8-14(10-20-6-4-18-2)11-21-7-5-19-3/h14-15,17H,4-12H2,1-3H3
InChIKeySFMUZSRNGLZHPT-UHFFFAOYSA-N
XLogP0.29
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 175805082
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-methoxyethoxy)butan-2-ol
CID 20514540
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane-1,1-diol
CID 87208063
(2,5-dioxopyrrolidin-1-yl) 2-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]ethyl carbonate
CID 123740028
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
1-chloro-3-(2-methoxyethoxy)propan-2-ol
CID 4581090
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
2-(2-aminoethyl)-4-hydroxy-5-(2-methoxyethoxy)pentanoic acid
CID 106993176
1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-3-(2-methoxyethoxy)propan-2-ol
CID 132556170
1-(2-methoxyethoxy)heptane-2,5-diol
CID 106992811
1,5-dimethoxypentane-2,4-diol
CID 88937884

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]propan-2-one?
The IUPAC name of 1-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]propan-2-one (CID 123174964) is 1-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]propan-2-one.
What is the SMILES notation for 1-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]propan-2-one?
The canonical SMILES for 1-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]propan-2-one is COCCOCC(COCCOC)CC(O)COCC(C)=O.
What is the InChIKey of 1-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]propan-2-one?
The InChIKey is SFMUZSRNGLZHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O7/c1-13(16)9-22-12-15(17)8-14(10-20-6-4-18-2)11-21-7-5-19-3/h14-15,17H,4-12H2,1-3H3.
What are the key properties of 1-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]propan-2-one?
1-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]propan-2-one has a molecular weight of 322.40 g/mol, XLogP of 0.29, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-5-(2-methoxyethoxy)-4-(2-methoxyethoxymethyl)pentoxy]propan-2-one is sourced from PubChem (CID 123174964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).