5-methyl-1-(oxolan-3-yl)hexan-2-one

C11H20O2 — CID 103986168

IUPAC5-methyl-1-(oxolan-3-yl)hexan-2-one
SMILESCC(C)CCC(=O)CC1CCOC1
InChIInChI=1S/C11H20O2/c1-9(2)3-4-11(12)7-10-5-6-13-8-10/h9-10H,3-8H2,1-2H3
InChIKeyAOBNCAPLOZTIIH-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.42
Rot. Bonds5

About 5-methyl-1-(oxolan-3-yl)hexan-2-one

5-methyl-1-(oxolan-3-yl)hexan-2-one (PubChem CID 103986168) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-methyl-1-(oxolan-3-yl)hexan-2-one.

Molecular Properties

Compound Name5-methyl-1-(oxolan-3-yl)hexan-2-one
PubChem CID103986168
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name5-methyl-1-(oxolan-3-yl)hexan-2-one
SMILESCC(C)CCC(=O)CC1CCOC1
InChIInChI=1S/C11H20O2/c1-9(2)3-4-11(12)7-10-5-6-13-8-10/h9-10H,3-8H2,1-2H3
InChIKeyAOBNCAPLOZTIIH-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxan-4-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986313
4-methyl-1-(oxolan-3-yl)pentan-1-one
CID 63563225
1-cyclohexyl-3-(oxolan-3-yl)propan-2-one
CID 103986258
3-methyl-1-(oxolan-3-yl)pentan-2-one
CID 103986310
5-(oxolan-2-yl)-1-(oxolan-3-yl)pentan-2-one
CID 103986354
1-(oxan-3-yl)butan-2-one
CID 103847209
1-(oxolan-3-yl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 103986247
3-[2-(oxolan-3-yl)ethylamino]-N-propan-2-ylpropanamide
CID 102671535
2-[(3S)-oxolan-3-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 176724619
N-(3-methylbutyl)-2-[2-(oxolan-3-yl)ethylamino]propanamide
CID 113411967
N-[(1R)-1-cyanoethyl]-2-[(3R)-oxolan-3-yl]acetamide
CID 130710840
1-acetyloxyethyl 2-(oxolan-3-yl)acetate;ethane
CID 171063874

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxolan-3-yl)hexan-2-one?
The IUPAC name of 5-methyl-1-(oxolan-3-yl)hexan-2-one (CID 103986168) is 5-methyl-1-(oxolan-3-yl)hexan-2-one.
What is the SMILES notation for 5-methyl-1-(oxolan-3-yl)hexan-2-one?
The canonical SMILES for 5-methyl-1-(oxolan-3-yl)hexan-2-one is CC(C)CCC(=O)CC1CCOC1.
What is the InChIKey of 5-methyl-1-(oxolan-3-yl)hexan-2-one?
The InChIKey is AOBNCAPLOZTIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-9(2)3-4-11(12)7-10-5-6-13-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 5-methyl-1-(oxolan-3-yl)hexan-2-one?
5-methyl-1-(oxolan-3-yl)hexan-2-one has a molecular weight of 184.28 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxolan-3-yl)hexan-2-one is sourced from PubChem (CID 103986168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).