3-butyl-5-methyloxolan-2-one;ethane

C11H22O2 — CID 143288540

IUPAC3-butyl-5-methyloxolan-2-one;ethane
SMILESCC.CCCCC1CC(C)OC1=O
InChIInChI=1S/C9H16O2.C2H6/c1-3-4-5-8-6-7(2)11-9(8)10;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyRAVYAIRITQAURG-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.15
Rot. Bonds3

About 3-butyl-5-methyloxolan-2-one;ethane

3-butyl-5-methyloxolan-2-one;ethane (PubChem CID 143288540) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-butyl-5-methyloxolan-2-one;ethane.

Molecular Properties

Compound Name3-butyl-5-methyloxolan-2-one;ethane
PubChem CID143288540
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-butyl-5-methyloxolan-2-one;ethane
SMILESCC.CCCCC1CC(C)OC1=O
InChIInChI=1S/C9H16O2.C2H6/c1-3-4-5-8-6-7(2)11-9(8)10;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyRAVYAIRITQAURG-UHFFFAOYSA-N
XLogP3.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-5-methyl-3-pentyloxolan-2-one
CID 89288605
5-methyl-3-nonyloxolan-2-one
CID 143081065
(3S)-3-(hydroxymethyl)-5-methyloxolan-2-one
CID 70587872
5-hydroxy-3-undecyloxolan-2-one
CID 10199009
(3R,5S)-3-heptyl-5-(iodomethyl)oxolan-2-one
CID 10990947
(3S)-3-butyloxetan-2-one
CID 11491937
3-(2,4-dimethylheptyl)-5-methyloxolan-2-one
CID 71335311
N,5-dimethyl-3-octyloxolan-2-imine
CID 155084362
[(Z)-1-[(2S,4R)-4-butyl-5-oxooxolan-2-yl]ethylideneamino]urea
CID 7303677
(3S)-3-amino-5-butyloxolan-2-one
CID 23562305
(3S,5S)-3-amino-5-butyloxolan-2-one
CID 45082203
3-butyloxiran-2-one
CID 18762090

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-methyloxolan-2-one;ethane?
The IUPAC name of 3-butyl-5-methyloxolan-2-one;ethane (CID 143288540) is 3-butyl-5-methyloxolan-2-one;ethane.
What is the SMILES notation for 3-butyl-5-methyloxolan-2-one;ethane?
The canonical SMILES for 3-butyl-5-methyloxolan-2-one;ethane is CC.CCCCC1CC(C)OC1=O.
What is the InChIKey of 3-butyl-5-methyloxolan-2-one;ethane?
The InChIKey is RAVYAIRITQAURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2.C2H6/c1-3-4-5-8-6-7(2)11-9(8)10;1-2/h7-8H,3-6H2,1-2H3;1-2H3.
What are the key properties of 3-butyl-5-methyloxolan-2-one;ethane?
3-butyl-5-methyloxolan-2-one;ethane has a molecular weight of 186.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-methyloxolan-2-one;ethane is sourced from PubChem (CID 143288540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).