5-hydroxy-1-methoxy-3,5-dimethylheptan-4-one

C10H20O3 — CID 103446835

IUPAC5-hydroxy-1-methoxy-3,5-dimethylheptan-4-one
SMILESCCC(C)(O)C(=O)C(C)CCOC
InChIInChI=1S/C10H20O3/c1-5-10(3,12)9(11)8(2)6-7-13-4/h8,12H,5-7H2,1-4H3
InChIKeyBERJQDJSAAALAH-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.39
Rot. Bonds6

About 5-hydroxy-1-methoxy-3,5-dimethylheptan-4-one

5-hydroxy-1-methoxy-3,5-dimethylheptan-4-one (PubChem CID 103446835) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-hydroxy-1-methoxy-3,5-dimethylheptan-4-one.

Molecular Properties

Compound Name5-hydroxy-1-methoxy-3,5-dimethylheptan-4-one
PubChem CID103446835
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name5-hydroxy-1-methoxy-3,5-dimethylheptan-4-one
SMILESCCC(C)(O)C(=O)C(C)CCOC
InChIInChI=1S/C10H20O3/c1-5-10(3,12)9(11)8(2)6-7-13-4/h8,12H,5-7H2,1-4H3
InChIKeyBERJQDJSAAALAH-UHFFFAOYSA-N
XLogP1.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methoxy-3,5-dimethylheptan-4-one?
The IUPAC name of 5-hydroxy-1-methoxy-3,5-dimethylheptan-4-one (CID 103446835) is 5-hydroxy-1-methoxy-3,5-dimethylheptan-4-one.
What is the SMILES notation for 5-hydroxy-1-methoxy-3,5-dimethylheptan-4-one?
The canonical SMILES for 5-hydroxy-1-methoxy-3,5-dimethylheptan-4-one is CCC(C)(O)C(=O)C(C)CCOC.
What is the InChIKey of 5-hydroxy-1-methoxy-3,5-dimethylheptan-4-one?
The InChIKey is BERJQDJSAAALAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-10(3,12)9(11)8(2)6-7-13-4/h8,12H,5-7H2,1-4H3.
What are the key properties of 5-hydroxy-1-methoxy-3,5-dimethylheptan-4-one?
5-hydroxy-1-methoxy-3,5-dimethylheptan-4-one has a molecular weight of 188.27 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methoxy-3,5-dimethylheptan-4-one is sourced from PubChem (CID 103446835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).