(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

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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).