4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-ol

C10H22O3 — CID 20504091

IUPAC4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-ol
SMILESCC(C)(O)CCOC(C)(C)CCO
InChIInChI=1S/C10H22O3/c1-9(2,12)6-8-13-10(3,4)5-7-11/h11-12H,5-8H2,1-4H3
InChIKeyCASYYYJJAUURRZ-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.33
Rot. Bonds6

About 4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-ol

4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-ol (PubChem CID 20504091) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-ol
PubChem CID20504091
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-ol
SMILESCC(C)(O)CCOC(C)(C)CCO
InChIInChI=1S/C10H22O3/c1-9(2,12)6-8-13-10(3,4)5-7-11/h11-12H,5-8H2,1-4H3
InChIKeyCASYYYJJAUURRZ-UHFFFAOYSA-N
XLogP1.33
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-ol?
The IUPAC name of 4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-ol (CID 20504091) is 4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-ol.
What is the SMILES notation for 4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-ol?
The canonical SMILES for 4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-ol is CC(C)(O)CCOC(C)(C)CCO.
What is the InChIKey of 4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-ol?
The InChIKey is CASYYYJJAUURRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-9(2,12)6-8-13-10(3,4)5-7-11/h11-12H,5-8H2,1-4H3.
What are the key properties of 4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-ol?
4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-ol has a molecular weight of 190.28 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-ol is sourced from PubChem (CID 20504091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).