5-(2-hydroxyethoxy)-3-methylpentan-2-ol

C8H18O3 — CID 79423755

IUPAC5-(2-hydroxyethoxy)-3-methylpentan-2-ol
SMILESCC(O)C(C)CCOCCO
InChIInChI=1S/C8H18O3/c1-7(8(2)10)3-5-11-6-4-9/h7-10H,3-6H2,1-2H3
InChIKeyNDBYUPBUGLYBQV-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.40
Rot. Bonds6

About 5-(2-hydroxyethoxy)-3-methylpentan-2-ol

5-(2-hydroxyethoxy)-3-methylpentan-2-ol (PubChem CID 79423755) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 5-(2-hydroxyethoxy)-3-methylpentan-2-ol.

Molecular Properties

Compound Name5-(2-hydroxyethoxy)-3-methylpentan-2-ol
PubChem CID79423755
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name5-(2-hydroxyethoxy)-3-methylpentan-2-ol
SMILESCC(O)C(C)CCOCCO
InChIInChI=1S/C8H18O3/c1-7(8(2)10)3-5-11-6-4-9/h7-10H,3-6H2,1-2H3
InChIKeyNDBYUPBUGLYBQV-UHFFFAOYSA-N
XLogP0.40
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428229
5-(3,4-dihydroxypentoxy)pentane-2,3-diol
CID 90771075
(4S,5S)-4-methylhexane-1,5-diol
CID 124511959
butane-1,1-diol;2-(2-hydroxyethoxy)ethanol
CID 87212260
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580
2-(2-hydroxyethoxy)ethanol;1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 161004910
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868
2-(3,5,5-trimethylhexoxy)ethanol
CID 54373855
2-[2-[2-(3,5,5-trimethylhexoxy)ethoxy]ethoxy]ethanol
CID 545734
2-methanidyl-2-methylpropane;2-(3-methylbutoxy)ethanol;yttrium
CID 166008404
2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
CID 87749078
2-[3-(dimethylamino)-5-(2-hydroxyethoxy)pentoxy]ethanol
CID 164739551

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethoxy)-3-methylpentan-2-ol?
The IUPAC name of 5-(2-hydroxyethoxy)-3-methylpentan-2-ol (CID 79423755) is 5-(2-hydroxyethoxy)-3-methylpentan-2-ol.
What is the SMILES notation for 5-(2-hydroxyethoxy)-3-methylpentan-2-ol?
The canonical SMILES for 5-(2-hydroxyethoxy)-3-methylpentan-2-ol is CC(O)C(C)CCOCCO.
What is the InChIKey of 5-(2-hydroxyethoxy)-3-methylpentan-2-ol?
The InChIKey is NDBYUPBUGLYBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-7(8(2)10)3-5-11-6-4-9/h7-10H,3-6H2,1-2H3.
What are the key properties of 5-(2-hydroxyethoxy)-3-methylpentan-2-ol?
5-(2-hydroxyethoxy)-3-methylpentan-2-ol has a molecular weight of 162.23 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethoxy)-3-methylpentan-2-ol is sourced from PubChem (CID 79423755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).