5-(2-hydroxy-3-methoxypropoxy)-2,4-dimethylpentan-2-ol

C11H24O4 — CID 138482304

IUPAC5-(2-hydroxy-3-methoxypropoxy)-2,4-dimethylpentan-2-ol
SMILESCOCC(O)COCC(C)CC(C)(C)O
InChIInChI=1S/C11H24O4/c1-9(5-11(2,3)13)6-15-8-10(12)7-14-4/h9-10,12-13H,5-8H2,1-4H3
InChIKeyBCRFQAOCLSAVEK-UHFFFAOYSA-N
MW220.31 g/mol
LogP0.81
Rot. Bonds8

About 5-(2-hydroxy-3-methoxypropoxy)-2,4-dimethylpentan-2-ol

5-(2-hydroxy-3-methoxypropoxy)-2,4-dimethylpentan-2-ol (PubChem CID 138482304) has the molecular formula C11H24O4 and a molecular weight of 220.31 g/mol. Its IUPAC name is 5-(2-hydroxy-3-methoxypropoxy)-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name5-(2-hydroxy-3-methoxypropoxy)-2,4-dimethylpentan-2-ol
PubChem CID138482304
Molecular FormulaC11H24O4
Molecular Weight220.31 g/mol
Exact Mass220.17
IUPAC Name5-(2-hydroxy-3-methoxypropoxy)-2,4-dimethylpentan-2-ol
SMILESCOCC(O)COCC(C)CC(C)(C)O
InChIInChI=1S/C11H24O4/c1-9(5-11(2,3)13)6-15-8-10(12)7-14-4/h9-10,12-13H,5-8H2,1-4H3
InChIKeyBCRFQAOCLSAVEK-UHFFFAOYSA-N
XLogP0.81
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2-hydroxy-3-methoxypropoxy)-2,4-dimethylpentan-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 5-(2-hydroxy-3-methoxypropoxy)-2,4-dimethylpentan-2-ol?
The IUPAC name of 5-(2-hydroxy-3-methoxypropoxy)-2,4-dimethylpentan-2-ol (CID 138482304) is 5-(2-hydroxy-3-methoxypropoxy)-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 5-(2-hydroxy-3-methoxypropoxy)-2,4-dimethylpentan-2-ol?
The canonical SMILES for 5-(2-hydroxy-3-methoxypropoxy)-2,4-dimethylpentan-2-ol is COCC(O)COCC(C)CC(C)(C)O.
What is the InChIKey of 5-(2-hydroxy-3-methoxypropoxy)-2,4-dimethylpentan-2-ol?
The InChIKey is BCRFQAOCLSAVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O4/c1-9(5-11(2,3)13)6-15-8-10(12)7-14-4/h9-10,12-13H,5-8H2,1-4H3.
What are the key properties of 5-(2-hydroxy-3-methoxypropoxy)-2,4-dimethylpentan-2-ol?
5-(2-hydroxy-3-methoxypropoxy)-2,4-dimethylpentan-2-ol has a molecular weight of 220.31 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-3-methoxypropoxy)-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 138482304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).