6-[2-(5-methyloxolan-2-yl)ethyl]oxan-2-one

C12H20O3 — CID 123255677

IUPAC6-[2-(5-methyloxolan-2-yl)ethyl]oxan-2-one
SMILESCC1CCC(CCC2CCCC(=O)O2)O1
InChIInChI=1S/C12H20O3/c1-9-5-6-11(14-9)8-7-10-3-2-4-12(13)15-10/h9-11H,2-8H2,1H3
InChIKeyDQCSAQWOPDUBQY-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.43
Rot. Bonds3

About 6-[2-(5-methyloxolan-2-yl)ethyl]oxan-2-one

6-[2-(5-methyloxolan-2-yl)ethyl]oxan-2-one (PubChem CID 123255677) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 6-[2-(5-methyloxolan-2-yl)ethyl]oxan-2-one.

Molecular Properties

Compound Name6-[2-(5-methyloxolan-2-yl)ethyl]oxan-2-one
PubChem CID123255677
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name6-[2-(5-methyloxolan-2-yl)ethyl]oxan-2-one
SMILESCC1CCC(CCC2CCCC(=O)O2)O1
InChIInChI=1S/C12H20O3/c1-9-5-6-11(14-9)8-7-10-3-2-4-12(13)15-10/h9-11H,2-8H2,1H3
InChIKeyDQCSAQWOPDUBQY-UHFFFAOYSA-N
XLogP2.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-icosyloxan-2-one
CID 100966702
13-propyl-oxacyclotridecan-2-one
CID 54410072
(6R)-6-[(5S)-5-methylheptyl]oxan-2-one
CID 163061475
6-methyloxan-2-one
CID 160564586
6-[(2-methylcyclopropyl)methyl]oxan-2-one
CID 101144566
6-[(E)-hept-3-enyl]oxan-2-one
CID 122463299
6-[3-[3-[3-(6-oxooxan-2-yl)propylsulfinyl]propylsulfinyl]propyl]oxan-2-one
CID 18752631
6-[(E)-hept-4-enyl]oxan-2-one
CID 71587972
6-methyloxan-2-one;5-methyloxolan-2-one
CID 142135496
16-ethyl-oxacyclohexadecan-2-one
CID 71324140
(9R)-9-ethyloxonan-2-one
CID 54340758
8-octyloxocan-2-one
CID 90108064

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-methyloxolan-2-yl)ethyl]oxan-2-one?
The IUPAC name of 6-[2-(5-methyloxolan-2-yl)ethyl]oxan-2-one (CID 123255677) is 6-[2-(5-methyloxolan-2-yl)ethyl]oxan-2-one.
What is the SMILES notation for 6-[2-(5-methyloxolan-2-yl)ethyl]oxan-2-one?
The canonical SMILES for 6-[2-(5-methyloxolan-2-yl)ethyl]oxan-2-one is CC1CCC(CCC2CCCC(=O)O2)O1.
What is the InChIKey of 6-[2-(5-methyloxolan-2-yl)ethyl]oxan-2-one?
The InChIKey is DQCSAQWOPDUBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-9-5-6-11(14-9)8-7-10-3-2-4-12(13)15-10/h9-11H,2-8H2,1H3.
What are the key properties of 6-[2-(5-methyloxolan-2-yl)ethyl]oxan-2-one?
6-[2-(5-methyloxolan-2-yl)ethyl]oxan-2-one has a molecular weight of 212.29 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-methyloxolan-2-yl)ethyl]oxan-2-one is sourced from PubChem (CID 123255677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).