3-(2-hydroxyethyl)-5-(2-methylpropoxy)pentan-2-one

C11H22O3 — CID 106454401

IUPAC3-(2-hydroxyethyl)-5-(2-methylpropoxy)pentan-2-one
SMILESCC(=O)C(CCO)CCOCC(C)C
InChIInChI=1S/C11H22O3/c1-9(2)8-14-7-5-11(4-6-12)10(3)13/h9,11-12H,4-8H2,1-3H3
InChIKeyGAMPWCHDSZLDHB-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.64
Rot. Bonds8

About 3-(2-hydroxyethyl)-5-(2-methylpropoxy)pentan-2-one

3-(2-hydroxyethyl)-5-(2-methylpropoxy)pentan-2-one (PubChem CID 106454401) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-5-(2-methylpropoxy)pentan-2-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-5-(2-methylpropoxy)pentan-2-one
PubChem CID106454401
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name3-(2-hydroxyethyl)-5-(2-methylpropoxy)pentan-2-one
SMILESCC(=O)C(CCO)CCOCC(C)C
InChIInChI=1S/C11H22O3/c1-9(2)8-14-7-5-11(4-6-12)10(3)13/h9,11-12H,4-8H2,1-3H3
InChIKeyGAMPWCHDSZLDHB-UHFFFAOYSA-N
XLogP1.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-4-(2-methylpropoxy)butanoic acid
CID 103942646
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanedioic acid
CID 175405425
2-amino-4-[2-(2-methylpropoxy)ethoxy]butanoic acid
CID 106448971
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428225
2-(2-methylpropoxy)ethyl acetate
CID 520944
acetic acid;2-methyl-1-(2-methylpropoxy)propane
CID 87879635
2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428226
6-fluoro-3-(2-hydroxyethyl)hexan-2-one
CID 103343847
3-methyl-2-[2-(2-methylpropoxy)ethyl]butan-1-ol
CID 106459451
3-(methylamino)-4-[2-(2-methylpropoxy)ethoxy]butan-1-ol
CID 106447159
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
3-[2-(2-methylpropoxy)ethoxy]propan-1-ol
CID 106448655

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-5-(2-methylpropoxy)pentan-2-one?
The IUPAC name of 3-(2-hydroxyethyl)-5-(2-methylpropoxy)pentan-2-one (CID 106454401) is 3-(2-hydroxyethyl)-5-(2-methylpropoxy)pentan-2-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-5-(2-methylpropoxy)pentan-2-one?
The canonical SMILES for 3-(2-hydroxyethyl)-5-(2-methylpropoxy)pentan-2-one is CC(=O)C(CCO)CCOCC(C)C.
What is the InChIKey of 3-(2-hydroxyethyl)-5-(2-methylpropoxy)pentan-2-one?
The InChIKey is GAMPWCHDSZLDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-9(2)8-14-7-5-11(4-6-12)10(3)13/h9,11-12H,4-8H2,1-3H3.
What are the key properties of 3-(2-hydroxyethyl)-5-(2-methylpropoxy)pentan-2-one?
3-(2-hydroxyethyl)-5-(2-methylpropoxy)pentan-2-one has a molecular weight of 202.29 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-5-(2-methylpropoxy)pentan-2-one is sourced from PubChem (CID 106454401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).