(2R)-2-(2-hydroxy-1-methoxyethoxy)-2-methoxybutan-1-ol

C8H18O5 — CID 88564305

IUPAC(2R)-2-(2-hydroxy-1-methoxyethoxy)-2-methoxybutan-1-ol
SMILESCC[C@@](CO)(OC)OC(CO)OC
InChIInChI=1S/C8H18O5/c1-4-8(6-10,12-3)13-7(5-9)11-2/h7,9-10H,4-6H2,1-3H3/t7?,8-/m1/s1
InChIKeyUPYGJOYSSPRWOZ-BRFYHDHCSA-N
MW194.23 g/mol
LogP-0.29
Rot. Bonds7

About (2R)-2-(2-hydroxy-1-methoxyethoxy)-2-methoxybutan-1-ol

(2R)-2-(2-hydroxy-1-methoxyethoxy)-2-methoxybutan-1-ol (PubChem CID 88564305) has the molecular formula C8H18O5 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2R)-2-(2-hydroxy-1-methoxyethoxy)-2-methoxybutan-1-ol.

Molecular Properties

Compound Name(2R)-2-(2-hydroxy-1-methoxyethoxy)-2-methoxybutan-1-ol
PubChem CID88564305
Molecular FormulaC8H18O5
Molecular Weight194.23 g/mol
Exact Mass194.12
IUPAC Name(2R)-2-(2-hydroxy-1-methoxyethoxy)-2-methoxybutan-1-ol
SMILESCC[C@@](CO)(OC)OC(CO)OC
InChIInChI=1S/C8H18O5/c1-4-8(6-10,12-3)13-7(5-9)11-2/h7,9-10H,4-6H2,1-3H3/t7?,8-/m1/s1
InChIKeyUPYGJOYSSPRWOZ-BRFYHDHCSA-N
XLogP-0.29
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-2-(2-hydroxy-1-methoxyethoxy)-2-methoxybutan-1-ol?
The IUPAC name of (2R)-2-(2-hydroxy-1-methoxyethoxy)-2-methoxybutan-1-ol (CID 88564305) is (2R)-2-(2-hydroxy-1-methoxyethoxy)-2-methoxybutan-1-ol.
What is the SMILES notation for (2R)-2-(2-hydroxy-1-methoxyethoxy)-2-methoxybutan-1-ol?
The canonical SMILES for (2R)-2-(2-hydroxy-1-methoxyethoxy)-2-methoxybutan-1-ol is CC[C@@](CO)(OC)OC(CO)OC.
What is the InChIKey of (2R)-2-(2-hydroxy-1-methoxyethoxy)-2-methoxybutan-1-ol?
The InChIKey is UPYGJOYSSPRWOZ-BRFYHDHCSA-N. The full InChI is InChI=1S/C8H18O5/c1-4-8(6-10,12-3)13-7(5-9)11-2/h7,9-10H,4-6H2,1-3H3/t7?,8-/m1/s1.
What are the key properties of (2R)-2-(2-hydroxy-1-methoxyethoxy)-2-methoxybutan-1-ol?
(2R)-2-(2-hydroxy-1-methoxyethoxy)-2-methoxybutan-1-ol has a molecular weight of 194.23 g/mol, XLogP of -0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-hydroxy-1-methoxyethoxy)-2-methoxybutan-1-ol is sourced from PubChem (CID 88564305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).