1-(2-hydroxy-4-methoxy-4-methylpentoxy)-4-methoxy-4-methylpentan-2-ol

C14H30O5 — CID 57138755

IUPAC1-(2-hydroxy-4-methoxy-4-methylpentoxy)-4-methoxy-4-methylpentan-2-ol
SMILESCOC(C)(C)CC(O)COCC(O)CC(C)(C)OC
InChIInChI=1S/C14H30O5/c1-13(2,17-5)7-11(15)9-19-10-12(16)8-14(3,4)18-6/h11-12,15-16H,7-10H2,1-6H3
InChIKeyYXUYHHNRYUZTPI-UHFFFAOYSA-N
MW278.39 g/mol
LogP1.36
Rot. Bonds10

About 1-(2-hydroxy-4-methoxy-4-methylpentoxy)-4-methoxy-4-methylpentan-2-ol

1-(2-hydroxy-4-methoxy-4-methylpentoxy)-4-methoxy-4-methylpentan-2-ol (PubChem CID 57138755) has the molecular formula C14H30O5 and a molecular weight of 278.39 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methoxy-4-methylpentoxy)-4-methoxy-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2-hydroxy-4-methoxy-4-methylpentoxy)-4-methoxy-4-methylpentan-2-ol
PubChem CID57138755
Molecular FormulaC14H30O5
Molecular Weight278.39 g/mol
Exact Mass278.21
IUPAC Name1-(2-hydroxy-4-methoxy-4-methylpentoxy)-4-methoxy-4-methylpentan-2-ol
SMILESCOC(C)(C)CC(O)COCC(O)CC(C)(C)OC
InChIInChI=1S/C14H30O5/c1-13(2,17-5)7-11(15)9-19-10-12(16)8-14(3,4)18-6/h11-12,15-16H,7-10H2,1-6H3
InChIKeyYXUYHHNRYUZTPI-UHFFFAOYSA-N
XLogP1.36
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methoxy-4-methylpentoxy)-4-methoxy-4-methylpentan-2-ol?
The IUPAC name of 1-(2-hydroxy-4-methoxy-4-methylpentoxy)-4-methoxy-4-methylpentan-2-ol (CID 57138755) is 1-(2-hydroxy-4-methoxy-4-methylpentoxy)-4-methoxy-4-methylpentan-2-ol.
What is the SMILES notation for 1-(2-hydroxy-4-methoxy-4-methylpentoxy)-4-methoxy-4-methylpentan-2-ol?
The canonical SMILES for 1-(2-hydroxy-4-methoxy-4-methylpentoxy)-4-methoxy-4-methylpentan-2-ol is COC(C)(C)CC(O)COCC(O)CC(C)(C)OC.
What is the InChIKey of 1-(2-hydroxy-4-methoxy-4-methylpentoxy)-4-methoxy-4-methylpentan-2-ol?
The InChIKey is YXUYHHNRYUZTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O5/c1-13(2,17-5)7-11(15)9-19-10-12(16)8-14(3,4)18-6/h11-12,15-16H,7-10H2,1-6H3.
What are the key properties of 1-(2-hydroxy-4-methoxy-4-methylpentoxy)-4-methoxy-4-methylpentan-2-ol?
1-(2-hydroxy-4-methoxy-4-methylpentoxy)-4-methoxy-4-methylpentan-2-ol has a molecular weight of 278.39 g/mol, XLogP of 1.36, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methoxy-4-methylpentoxy)-4-methoxy-4-methylpentan-2-ol is sourced from PubChem (CID 57138755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).