(2R,4R)-2-ethyl-4-(2-hydroxybutoxy)hexan-1-ol

C12H26O3 — CID 11543074

IUPAC(2R,4R)-2-ethyl-4-(2-hydroxybutoxy)hexan-1-ol
SMILESCCC(O)CO[C@H](CC)C[C@@H](CC)CO
InChIInChI=1S/C12H26O3/c1-4-10(8-13)7-12(6-3)15-9-11(14)5-2/h10-14H,4-9H2,1-3H3/t10-,11?,12-/m1/s1
InChIKeyGYNRBXDQGQUJJJ-IGBJHFKCSA-N
MW218.34 g/mol
LogP1.96
Rot. Bonds9

About (2R,4R)-2-ethyl-4-(2-hydroxybutoxy)hexan-1-ol

(2R,4R)-2-ethyl-4-(2-hydroxybutoxy)hexan-1-ol (PubChem CID 11543074) has the molecular formula C12H26O3 and a molecular weight of 218.34 g/mol. Its IUPAC name is (2R,4R)-2-ethyl-4-(2-hydroxybutoxy)hexan-1-ol.

Molecular Properties

Compound Name(2R,4R)-2-ethyl-4-(2-hydroxybutoxy)hexan-1-ol
PubChem CID11543074
Molecular FormulaC12H26O3
Molecular Weight218.34 g/mol
Exact Mass218.19
IUPAC Name(2R,4R)-2-ethyl-4-(2-hydroxybutoxy)hexan-1-ol
SMILESCCC(O)CO[C@H](CC)C[C@@H](CC)CO
InChIInChI=1S/C12H26O3/c1-4-10(8-13)7-12(6-3)15-9-11(14)5-2/h10-14H,4-9H2,1-3H3/t10-,11?,12-/m1/s1
InChIKeyGYNRBXDQGQUJJJ-IGBJHFKCSA-N
XLogP1.96
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,4R)-2-ethyl-4-(2-hydroxybutoxy)hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-hydroxybutoxy)butoxy]butan-1-ol
CID 22568338
1-[2,3-bis(2-hydroxybutoxy)propoxy]butan-2-ol
CID 22947936
3-(2-hydroxybutoxy)-2-(2-hydroxybutoxymethyl)propan-1-ol
CID 164930763
bis[5-(hydroxymethyl)heptan-3-yl] 2,3-dihydroxybutanedioate
CID 123300203
1-amino-3-ethylbutane-1,4-diol
CID 22444229
1-(1-hydroxypropan-2-yloxy)-4-propoxyhexan-2-ol
CID 174990741
1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol
CID 169296791
[2-hydroxy-4-(hydroxymethyl)hexyl]-trimethylazanium
CID 173162360
3-[2-[2-[(2R)-3-[1,3-bis[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propan-2-yloxy]-2-methylpropoxy]-3-[1,3-bis(2,3-dihydroxypropoxy)propan-2-yloxy]propoxy]-3-(2-hydroxybutoxy)propoxy]propane-1,2-diol
CID 134336101
2-(fluoromethyl)butan-1-ol
CID 59510838
1,3-bis(1,3-dimethoxypropan-2-yloxy)propan-2-ol
CID 71445138
3-[2-(3-hydroxy-2-methylpropoxy)butoxy]propane-1,2-diol
CID 126563059

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-ethyl-4-(2-hydroxybutoxy)hexan-1-ol?
The IUPAC name of (2R,4R)-2-ethyl-4-(2-hydroxybutoxy)hexan-1-ol (CID 11543074) is (2R,4R)-2-ethyl-4-(2-hydroxybutoxy)hexan-1-ol.
What is the SMILES notation for (2R,4R)-2-ethyl-4-(2-hydroxybutoxy)hexan-1-ol?
The canonical SMILES for (2R,4R)-2-ethyl-4-(2-hydroxybutoxy)hexan-1-ol is CCC(O)CO[C@H](CC)C[C@@H](CC)CO.
What is the InChIKey of (2R,4R)-2-ethyl-4-(2-hydroxybutoxy)hexan-1-ol?
The InChIKey is GYNRBXDQGQUJJJ-IGBJHFKCSA-N. The full InChI is InChI=1S/C12H26O3/c1-4-10(8-13)7-12(6-3)15-9-11(14)5-2/h10-14H,4-9H2,1-3H3/t10-,11?,12-/m1/s1.
What are the key properties of (2R,4R)-2-ethyl-4-(2-hydroxybutoxy)hexan-1-ol?
(2R,4R)-2-ethyl-4-(2-hydroxybutoxy)hexan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-ethyl-4-(2-hydroxybutoxy)hexan-1-ol is sourced from PubChem (CID 11543074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).