5-methyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)hexan-1-one

C14H24O2 — CID 171937897

IUPAC5-methyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)hexan-1-one
SMILESCC(C)CCCC(=O)C1CC2CCC(C1)O2
InChIInChI=1S/C14H24O2/c1-10(2)4-3-5-14(15)11-8-12-6-7-13(9-11)16-12/h10-13H,3-9H2,1-2H3
InChIKeyVTCGIJMNBFMJTF-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.34
Rot. Bonds5

About 5-methyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)hexan-1-one

5-methyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)hexan-1-one (PubChem CID 171937897) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 5-methyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)hexan-1-one.

Molecular Properties

Compound Name5-methyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)hexan-1-one
PubChem CID171937897
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name5-methyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)hexan-1-one
SMILESCC(C)CCCC(=O)C1CC2CCC(C1)O2
InChIInChI=1S/C14H24O2/c1-10(2)4-3-5-14(15)11-8-12-6-7-13(9-11)16-12/h10-13H,3-9H2,1-2H3
InChIKeyVTCGIJMNBFMJTF-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methoxyethoxy)-1-(8-oxabicyclo[3.2.1]octan-3-yl)butan-1-one
CID 171945317
1-(8-oxabicyclo[3.2.1]octan-3-yl)undec-10-en-1-one
CID 171941663
1-cyclopentyl-7-methyloctan-1-one
CID 155793674
tert-butyl 3-(5-methylhexanoyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171937893
5-methyl-1-(oxan-2-yl)hexan-1-one
CID 115795492
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentan-3-one
CID 66393672
4-methyl-1-(oxolan-3-yl)pentan-1-one
CID 63563225
9H-fluoren-9-ylmethyl 7-(5-methylhexanoyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171937913
2,16-dimethylheptadecan-6-one
CID 158111781
1-cyclopropyl-4-propan-2-ylsulfonylbutan-1-one
CID 106727073
(3R,4R)-4-(hydroxymethyl)-3-(5-methylhexanoyl)oxolan-2-one
CID 15109416
2-(4-methylpentyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 83169484

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)hexan-1-one?
The IUPAC name of 5-methyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)hexan-1-one (CID 171937897) is 5-methyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)hexan-1-one.
What is the SMILES notation for 5-methyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)hexan-1-one?
The canonical SMILES for 5-methyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)hexan-1-one is CC(C)CCCC(=O)C1CC2CCC(C1)O2.
What is the InChIKey of 5-methyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)hexan-1-one?
The InChIKey is VTCGIJMNBFMJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-10(2)4-3-5-14(15)11-8-12-6-7-13(9-11)16-12/h10-13H,3-9H2,1-2H3.
What are the key properties of 5-methyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)hexan-1-one?
5-methyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)hexan-1-one has a molecular weight of 224.34 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(8-oxabicyclo[3.2.1]octan-3-yl)hexan-1-one is sourced from PubChem (CID 171937897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).