5-hydroxy-4-methyl-6-(2-methylpropyl)oxan-2-one

C10H18O3 — CID 13412077

IUPAC5-hydroxy-4-methyl-6-(2-methylpropyl)oxan-2-one
SMILESCC(C)CC1OC(=O)CC(C)C1O
InChIInChI=1S/C10H18O3/c1-6(2)4-8-10(12)7(3)5-9(11)13-8/h6-8,10,12H,4-5H2,1-3H3
InChIKeyGNDXNUWXVXLUPM-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.35
Rot. Bonds2

About 5-hydroxy-4-methyl-6-(2-methylpropyl)oxan-2-one

5-hydroxy-4-methyl-6-(2-methylpropyl)oxan-2-one (PubChem CID 13412077) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 5-hydroxy-4-methyl-6-(2-methylpropyl)oxan-2-one.

Molecular Properties

Compound Name5-hydroxy-4-methyl-6-(2-methylpropyl)oxan-2-one
PubChem CID13412077
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name5-hydroxy-4-methyl-6-(2-methylpropyl)oxan-2-one
SMILESCC(C)CC1OC(=O)CC(C)C1O
InChIInChI=1S/C10H18O3/c1-6(2)4-8-10(12)7(3)5-9(11)13-8/h6-8,10,12H,4-5H2,1-3H3
InChIKeyGNDXNUWXVXLUPM-UHFFFAOYSA-N
XLogP1.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methyl-6-(2-methylpropyl)oxan-2-one?
The IUPAC name of 5-hydroxy-4-methyl-6-(2-methylpropyl)oxan-2-one (CID 13412077) is 5-hydroxy-4-methyl-6-(2-methylpropyl)oxan-2-one.
What is the SMILES notation for 5-hydroxy-4-methyl-6-(2-methylpropyl)oxan-2-one?
The canonical SMILES for 5-hydroxy-4-methyl-6-(2-methylpropyl)oxan-2-one is CC(C)CC1OC(=O)CC(C)C1O.
What is the InChIKey of 5-hydroxy-4-methyl-6-(2-methylpropyl)oxan-2-one?
The InChIKey is GNDXNUWXVXLUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-6(2)4-8-10(12)7(3)5-9(11)13-8/h6-8,10,12H,4-5H2,1-3H3.
What are the key properties of 5-hydroxy-4-methyl-6-(2-methylpropyl)oxan-2-one?
5-hydroxy-4-methyl-6-(2-methylpropyl)oxan-2-one has a molecular weight of 186.25 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methyl-6-(2-methylpropyl)oxan-2-one is sourced from PubChem (CID 13412077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).