5-(oxolan-2-yl)-1-(oxolan-3-yl)pentan-2-one

C13H22O3 — CID 103986354

IUPAC5-(oxolan-2-yl)-1-(oxolan-3-yl)pentan-2-one
SMILESO=C(CCCC1CCCO1)CC1CCOC1
InChIInChI=1S/C13H22O3/c14-12(9-11-6-8-15-10-11)3-1-4-13-5-2-7-16-13/h11,13H,1-10H2
InChIKeyIHHUXLUUOHOHTN-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.33
Rot. Bonds6

About 5-(oxolan-2-yl)-1-(oxolan-3-yl)pentan-2-one

5-(oxolan-2-yl)-1-(oxolan-3-yl)pentan-2-one (PubChem CID 103986354) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-(oxolan-2-yl)-1-(oxolan-3-yl)pentan-2-one.

Molecular Properties

Compound Name5-(oxolan-2-yl)-1-(oxolan-3-yl)pentan-2-one
PubChem CID103986354
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name5-(oxolan-2-yl)-1-(oxolan-3-yl)pentan-2-one
SMILESO=C(CCCC1CCCO1)CC1CCOC1
InChIInChI=1S/C13H22O3/c14-12(9-11-6-8-15-10-11)3-1-4-13-5-2-7-16-13/h11,13H,1-10H2
InChIKeyIHHUXLUUOHOHTN-UHFFFAOYSA-N
XLogP2.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(oxan-2-yl)-1-(oxan-4-yl)butan-2-one
CID 114969240
1-cyclohexyl-4-(oxolan-2-yl)butan-2-one
CID 114967671
1-chloro-7-(oxolan-2-yl)heptan-4-one
CID 66044442
1-(2-bicyclo[2.2.1]heptanyl)-5-(oxolan-2-yl)pentan-2-one
CID 114976701
1-(oxolan-2-yl)undecan-4-one
CID 114976697
7-(oxolan-2-yl)hept-1-en-4-one
CID 116659572
5-methyl-1-(oxolan-3-yl)hexan-2-one
CID 103986168
1-methylsulfonyl-5-(oxolan-2-yl)pentan-2-one
CID 115646806
1-(oxan-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986313
1-cyclohexyl-3-(oxolan-3-yl)propan-2-one
CID 103986258
5-oxo-8-(oxolan-3-yl)octanal
CID 142212118
4-(oxolan-2-yl)-1-piperidin-3-ylbutan-2-one
CID 116564211

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)-1-(oxolan-3-yl)pentan-2-one?
The IUPAC name of 5-(oxolan-2-yl)-1-(oxolan-3-yl)pentan-2-one (CID 103986354) is 5-(oxolan-2-yl)-1-(oxolan-3-yl)pentan-2-one.
What is the SMILES notation for 5-(oxolan-2-yl)-1-(oxolan-3-yl)pentan-2-one?
The canonical SMILES for 5-(oxolan-2-yl)-1-(oxolan-3-yl)pentan-2-one is O=C(CCCC1CCCO1)CC1CCOC1.
What is the InChIKey of 5-(oxolan-2-yl)-1-(oxolan-3-yl)pentan-2-one?
The InChIKey is IHHUXLUUOHOHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c14-12(9-11-6-8-15-10-11)3-1-4-13-5-2-7-16-13/h11,13H,1-10H2.
What are the key properties of 5-(oxolan-2-yl)-1-(oxolan-3-yl)pentan-2-one?
5-(oxolan-2-yl)-1-(oxolan-3-yl)pentan-2-one has a molecular weight of 226.32 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)-1-(oxolan-3-yl)pentan-2-one is sourced from PubChem (CID 103986354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).