5,5-dibutyloxolan-2-one

C12H22O2 — CID 10608036

IUPAC5,5-dibutyloxolan-2-one
SMILESCCCCC1(CCCC)CCC(=O)O1
InChIInChI=1S/C12H22O2/c1-3-5-8-12(9-6-4-2)10-7-11(13)14-12/h3-10H2,1-2H3
InChIKeyKZEKELDMLDBVFV-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.44
Rot. Bonds6

About 5,5-dibutyloxolan-2-one

5,5-dibutyloxolan-2-one (PubChem CID 10608036) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 5,5-dibutyloxolan-2-one.

Molecular Properties

Compound Name5,5-dibutyloxolan-2-one
PubChem CID10608036
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name5,5-dibutyloxolan-2-one
SMILESCCCCC1(CCCC)CCC(=O)O1
InChIInChI=1S/C12H22O2/c1-3-5-8-12(9-6-4-2)10-7-11(13)14-12/h3-10H2,1-2H3
InChIKeyKZEKELDMLDBVFV-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dihydrojasmone lactone
CID 285097
5-Butyl-4-methyldihydro-2(3H)-furanone
CID 62900
alpha-Hexyl-gamma-butyrolactone
CID 86736
2(3H)-Furanone, dihydro-4-methyl-5-pentyl-
CID 97707
4-Hydroxy-4-methyl-3-(3-oxobutyl)-valeric acid gamma-lactone
CID 138243
3-Methyl-gamma-decalactone
CID 106756
1-Oxaspiro[4.5]decan-2-one
CID 12783
3-Heptyldihydro-5-methyl-2(3H)-furanone
CID 61990
2(3H)-Furanone, 5-butyldihydro-4-methyl-, cis-
CID 41285
Dodecylsuccinic anhydride
CID 98107
3-Decyldihydro-2,5-furandione
CID 86743
2(3H)-Furanone, 5-butyldihydro-5-methyl-
CID 98474

Frequently Asked Questions

What is the IUPAC name of 5,5-dibutyloxolan-2-one?
The IUPAC name of 5,5-dibutyloxolan-2-one (CID 10608036) is 5,5-dibutyloxolan-2-one.
What is the SMILES notation for 5,5-dibutyloxolan-2-one?
The canonical SMILES for 5,5-dibutyloxolan-2-one is CCCCC1(CCCC)CCC(=O)O1.
What is the InChIKey of 5,5-dibutyloxolan-2-one?
The InChIKey is KZEKELDMLDBVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-5-8-12(9-6-4-2)10-7-11(13)14-12/h3-10H2,1-2H3.
What are the key properties of 5,5-dibutyloxolan-2-one?
5,5-dibutyloxolan-2-one has a molecular weight of 198.31 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibutyloxolan-2-one is sourced from PubChem (CID 10608036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).