(2R)-4-[(3R)-3-hydroxybutoxy]butan-2-ol

C8H18O3 — CID 56626223

IUPAC(2R)-4-[(3R)-3-hydroxybutoxy]butan-2-ol
SMILESC[C@@H](O)CCOCC[C@@H](C)O
InChIInChI=1S/C8H18O3/c1-7(9)3-5-11-6-4-8(2)10/h7-10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyAFSYRVDDZGJTIL-HTQZYQBOSA-N
MW162.23 g/mol
LogP0.54
Rot. Bonds6

About (2R)-4-[(3R)-3-hydroxybutoxy]butan-2-ol

(2R)-4-[(3R)-3-hydroxybutoxy]butan-2-ol (PubChem CID 56626223) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is (2R)-4-[(3R)-3-hydroxybutoxy]butan-2-ol.

Molecular Properties

Compound Name(2R)-4-[(3R)-3-hydroxybutoxy]butan-2-ol
PubChem CID56626223
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name(2R)-4-[(3R)-3-hydroxybutoxy]butan-2-ol
SMILESC[C@@H](O)CCOCC[C@@H](C)O
InChIInChI=1S/C8H18O3/c1-7(9)3-5-11-6-4-8(2)10/h7-10H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyAFSYRVDDZGJTIL-HTQZYQBOSA-N
XLogP0.54
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 ≤ 50.54
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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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(3R)-3-hydroxybutoxy]butan-2-ol?
The IUPAC name of (2R)-4-[(3R)-3-hydroxybutoxy]butan-2-ol (CID 56626223) is (2R)-4-[(3R)-3-hydroxybutoxy]butan-2-ol.
What is the SMILES notation for (2R)-4-[(3R)-3-hydroxybutoxy]butan-2-ol?
The canonical SMILES for (2R)-4-[(3R)-3-hydroxybutoxy]butan-2-ol is C[C@@H](O)CCOCC[C@@H](C)O.
What is the InChIKey of (2R)-4-[(3R)-3-hydroxybutoxy]butan-2-ol?
The InChIKey is AFSYRVDDZGJTIL-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H18O3/c1-7(9)3-5-11-6-4-8(2)10/h7-10H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (2R)-4-[(3R)-3-hydroxybutoxy]butan-2-ol?
(2R)-4-[(3R)-3-hydroxybutoxy]butan-2-ol has a molecular weight of 162.23 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(3R)-3-hydroxybutoxy]butan-2-ol is sourced from PubChem (CID 56626223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).