3-hydroxy-5-methyl-5-(2-methylpropyl)oxolan-2-one

C9H16O3 — CID 139987843

IUPAC3-hydroxy-5-methyl-5-(2-methylpropyl)oxolan-2-one
SMILESCC(C)CC1(C)CC(O)C(=O)O1
InChIInChI=1S/C9H16O3/c1-6(2)4-9(3)5-7(10)8(11)12-9/h6-7,10H,4-5H2,1-3H3
InChIKeyILDPQIUUWQAKQY-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.10
Rot. Bonds2

About 3-hydroxy-5-methyl-5-(2-methylpropyl)oxolan-2-one

3-hydroxy-5-methyl-5-(2-methylpropyl)oxolan-2-one (PubChem CID 139987843) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 3-hydroxy-5-methyl-5-(2-methylpropyl)oxolan-2-one.

Molecular Properties

Compound Name3-hydroxy-5-methyl-5-(2-methylpropyl)oxolan-2-one
PubChem CID139987843
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name3-hydroxy-5-methyl-5-(2-methylpropyl)oxolan-2-one
SMILESCC(C)CC1(C)CC(O)C(=O)O1
InChIInChI=1S/C9H16O3/c1-6(2)4-9(3)5-7(10)8(11)12-9/h6-7,10H,4-5H2,1-3H3
InChIKeyILDPQIUUWQAKQY-UHFFFAOYSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-bis(2-methylpropyl)-1,3-dioxane-4,6-dione
CID 23303482
3-hydroxy-5-methyl-5-phenyloxolan-2-one
CID 12521154
3-ethyl-5-[2-(hydroxymethyl)butyl]-5-methyloxolan-2-one
CID 23243024
3-hydroxy-5,5-dimethyloxan-2-one
CID 70489948
5-(bromomethyl)-5-methyl-3-(3-methylbutyl)oxolan-2-one
CID 11065266
3-hydroxy-5-(2-hydroxy-4-methylhexoxy)-5-methyloxan-2-one
CID 177177449
(4R)-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-ol
CID 104980282
6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114708664
4-hydroxy-5-methyl-6-oxabicyclo[3.2.1]octan-7-one
CID 20576375
N-[(3S,5R)-5-(hydroxymethyl)-5-methyl-2-oxooxolan-3-yl]acetamide
CID 130875199
(5-methyl-2-oxo-5-propyloxolan-3-yl) 2,2-dimethylpropanoate
CID 163753994
(3R)-3-methyl-3-(2-methylpropyl)oxolane-2,5-dione
CID 94840979

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methyl-5-(2-methylpropyl)oxolan-2-one?
The IUPAC name of 3-hydroxy-5-methyl-5-(2-methylpropyl)oxolan-2-one (CID 139987843) is 3-hydroxy-5-methyl-5-(2-methylpropyl)oxolan-2-one.
What is the SMILES notation for 3-hydroxy-5-methyl-5-(2-methylpropyl)oxolan-2-one?
The canonical SMILES for 3-hydroxy-5-methyl-5-(2-methylpropyl)oxolan-2-one is CC(C)CC1(C)CC(O)C(=O)O1.
What is the InChIKey of 3-hydroxy-5-methyl-5-(2-methylpropyl)oxolan-2-one?
The InChIKey is ILDPQIUUWQAKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-6(2)4-9(3)5-7(10)8(11)12-9/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 3-hydroxy-5-methyl-5-(2-methylpropyl)oxolan-2-one?
3-hydroxy-5-methyl-5-(2-methylpropyl)oxolan-2-one has a molecular weight of 172.22 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methyl-5-(2-methylpropyl)oxolan-2-one is sourced from PubChem (CID 139987843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).