(2R)-4,4-diethoxybutane-1,2-diol

C8H18O4 — CID 11309857

IUPAC(2R)-4,4-diethoxybutane-1,2-diol
SMILESCCOC(C[C@@H](O)CO)OCC
InChIInChI=1S/C8H18O4/c1-3-11-8(12-4-2)5-7(10)6-9/h7-10H,3-6H2,1-2H3/t7-/m1/s1
InChIKeySJDLYHLGNTVLFU-SSDOTTSWSA-N
MW178.23 g/mol
LogP0.13
Rot. Bonds7

About (2R)-4,4-diethoxybutane-1,2-diol

(2R)-4,4-diethoxybutane-1,2-diol (PubChem CID 11309857) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is (2R)-4,4-diethoxybutane-1,2-diol.

Molecular Properties

Compound Name(2R)-4,4-diethoxybutane-1,2-diol
PubChem CID11309857
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name(2R)-4,4-diethoxybutane-1,2-diol
SMILESCCOC(C[C@@H](O)CO)OCC
InChIInChI=1S/C8H18O4/c1-3-11-8(12-4-2)5-7(10)6-9/h7-10H,3-6H2,1-2H3/t7-/m1/s1
InChIKeySJDLYHLGNTVLFU-SSDOTTSWSA-N
XLogP0.13
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-diethoxybutane-1,2-diol?
The IUPAC name of (2R)-4,4-diethoxybutane-1,2-diol (CID 11309857) is (2R)-4,4-diethoxybutane-1,2-diol.
What is the SMILES notation for (2R)-4,4-diethoxybutane-1,2-diol?
The canonical SMILES for (2R)-4,4-diethoxybutane-1,2-diol is CCOC(C[C@@H](O)CO)OCC.
What is the InChIKey of (2R)-4,4-diethoxybutane-1,2-diol?
The InChIKey is SJDLYHLGNTVLFU-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H18O4/c1-3-11-8(12-4-2)5-7(10)6-9/h7-10H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-4,4-diethoxybutane-1,2-diol?
(2R)-4,4-diethoxybutane-1,2-diol has a molecular weight of 178.23 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-diethoxybutane-1,2-diol is sourced from PubChem (CID 11309857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).