5-(2-hydroxy-2-methylpropyl)-5-methyloxolan-2-one

C9H16O3 — CID 174285026

IUPAC5-(2-hydroxy-2-methylpropyl)-5-methyloxolan-2-one
SMILESCC(C)(O)CC1(C)CCC(=O)O1
InChIInChI=1S/C9H16O3/c1-8(2,11)6-9(3)5-4-7(10)12-9/h11H,4-6H2,1-3H3
InChIKeyAIEBRBILTDFTDP-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.24
Rot. Bonds2

About 5-(2-hydroxy-2-methylpropyl)-5-methyloxolan-2-one

5-(2-hydroxy-2-methylpropyl)-5-methyloxolan-2-one (PubChem CID 174285026) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 5-(2-hydroxy-2-methylpropyl)-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-(2-hydroxy-2-methylpropyl)-5-methyloxolan-2-one
PubChem CID174285026
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name5-(2-hydroxy-2-methylpropyl)-5-methyloxolan-2-one
SMILESCC(C)(O)CC1(C)CCC(=O)O1
InChIInChI=1S/C9H16O3/c1-8(2,11)6-9(3)5-4-7(10)12-9/h11H,4-6H2,1-3H3
InChIKeyAIEBRBILTDFTDP-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-5-(2-trimethylsilylethyl)oxolan-2-one
CID 10987279
5-methyl-5-prop-2-ynyloxolan-2-one
CID 13357607
methyl 2-(2-methyl-5-oxooxolan-2-yl)acetate
CID 14542737
5,5-dimethyloxolan-2-one;4-hydroxy-4-methylpentanal
CID 159793073
5-(ethoxymethyl)-5-methyloxolan-2-one
CID 103439717
5-(cyclobutylmethyl)-5-methyloxolan-2-one
CID 103439680
(6R)-6-(hydroxymethyl)-6-methyloxan-2-one
CID 129388764
(6S)-6-(hydroxymethyl)-6-methyloxan-2-one
CID 14165937
5-(2-hydroxy-4-methylpent-3-enyl)-5-methyloxolan-2-one
CID 77139226
5-[(Z)-hex-3-enyl]-5-methyloxolan-2-one
CID 11332852
2,3,5-trimethyl-6-[2-(2-methyl-5-oxooxolan-2-yl)ethyl]cyclohexa-2,5-diene-1,4-dione
CID 3081993
5-(4,8-dimethylnonyl)-5-methyloxolan-2-one
CID 567139

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-2-methylpropyl)-5-methyloxolan-2-one?
The IUPAC name of 5-(2-hydroxy-2-methylpropyl)-5-methyloxolan-2-one (CID 174285026) is 5-(2-hydroxy-2-methylpropyl)-5-methyloxolan-2-one.
What is the SMILES notation for 5-(2-hydroxy-2-methylpropyl)-5-methyloxolan-2-one?
The canonical SMILES for 5-(2-hydroxy-2-methylpropyl)-5-methyloxolan-2-one is CC(C)(O)CC1(C)CCC(=O)O1.
What is the InChIKey of 5-(2-hydroxy-2-methylpropyl)-5-methyloxolan-2-one?
The InChIKey is AIEBRBILTDFTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-8(2,11)6-9(3)5-4-7(10)12-9/h11H,4-6H2,1-3H3.
What are the key properties of 5-(2-hydroxy-2-methylpropyl)-5-methyloxolan-2-one?
5-(2-hydroxy-2-methylpropyl)-5-methyloxolan-2-one has a molecular weight of 172.22 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-2-methylpropyl)-5-methyloxolan-2-one is sourced from PubChem (CID 174285026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).