hexan-2-one;2-methoxyethanol

C9H20O3 — CID 158133089

IUPAChexan-2-one;2-methoxyethanol
SMILESCCCCC(C)=O.COCCO
InChIInChI=1S/C6H12O.C3H8O2/c1-3-4-5-6(2)7;1-5-3-2-4/h3-5H2,1-2H3;4H,2-3H2,1H3
InChIKeyFTADUOOPBWLROW-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.39
Rot. Bonds5

About hexan-2-one;2-methoxyethanol

hexan-2-one;2-methoxyethanol (PubChem CID 158133089) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is hexan-2-one;2-methoxyethanol.

Molecular Properties

Compound Namehexan-2-one;2-methoxyethanol
PubChem CID158133089
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Namehexan-2-one;2-methoxyethanol
SMILESCCCCC(C)=O.COCCO
InChIInChI=1S/C6H12O.C3H8O2/c1-3-4-5-6(2)7;1-5-3-2-4/h3-5H2,1-2H3;4H,2-3H2,1H3
InChIKeyFTADUOOPBWLROW-UHFFFAOYSA-N
XLogP1.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butan-1-ol;hexan-2-one
CID 20532115
2-carboxyoxyethyl hydrogen carbonate;heptan-2-one;2-methoxyethanol;prop-1-ene
CID 173246259
bis(1-hydroxypropan-2-one);2-methoxyethanol
CID 88639054
hexan-2-one;molecular nitrogen
CID 174442577
ethene;hexan-2-one
CID 88765599
butan-1-ol;1,2-dimethoxyethane
CID 86595378
17-methoxyheptadecan-2-one
CID 59530855
ethane-1,2-diol;henicosan-2-one
CID 167612528
butan-1-ol;heptan-2-one
CID 87902708
5-methoxypentan-2-one acetate
CID 123446374
1-butoxybutane;1,2-dimethoxyethane;2-(2-hydroxyethoxy)ethanol
CID 87464396
1,2-dimethoxyethane;ethane-1,2-diol;tris(2-methoxyethanol)
CID 160893759

Frequently Asked Questions

What is the IUPAC name of hexan-2-one;2-methoxyethanol?
The IUPAC name of hexan-2-one;2-methoxyethanol (CID 158133089) is hexan-2-one;2-methoxyethanol.
What is the SMILES notation for hexan-2-one;2-methoxyethanol?
The canonical SMILES for hexan-2-one;2-methoxyethanol is CCCCC(C)=O.COCCO.
What is the InChIKey of hexan-2-one;2-methoxyethanol?
The InChIKey is FTADUOOPBWLROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C3H8O2/c1-3-4-5-6(2)7;1-5-3-2-4/h3-5H2,1-2H3;4H,2-3H2,1H3.
What are the key properties of hexan-2-one;2-methoxyethanol?
hexan-2-one;2-methoxyethanol has a molecular weight of 176.26 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-one;2-methoxyethanol is sourced from PubChem (CID 158133089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).