5-hydroxy-3-(oxan-4-ylmethyl)pentan-2-one

C11H20O3 — CID 103344069

IUPAC5-hydroxy-3-(oxan-4-ylmethyl)pentan-2-one
SMILESCC(=O)C(CCO)CC1CCOCC1
InChIInChI=1S/C11H20O3/c1-9(13)11(2-5-12)8-10-3-6-14-7-4-10/h10-12H,2-8H2,1H3
InChIKeyXWGNGTILGDYTME-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.39
Rot. Bonds5

About 5-hydroxy-3-(oxan-4-ylmethyl)pentan-2-one

5-hydroxy-3-(oxan-4-ylmethyl)pentan-2-one (PubChem CID 103344069) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-hydroxy-3-(oxan-4-ylmethyl)pentan-2-one.

Molecular Properties

Compound Name5-hydroxy-3-(oxan-4-ylmethyl)pentan-2-one
PubChem CID103344069
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name5-hydroxy-3-(oxan-4-ylmethyl)pentan-2-one
SMILESCC(=O)C(CCO)CC1CCOCC1
InChIInChI=1S/C11H20O3/c1-9(13)11(2-5-12)8-10-3-6-14-7-4-10/h10-12H,2-8H2,1H3
InChIKeyXWGNGTILGDYTME-UHFFFAOYSA-N
XLogP1.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopentylmethyl)-5-hydroxypentan-2-one
CID 103344013
2-(aminomethyl)-N-cyclopropyl-3-(oxan-4-yl)propanamide
CID 62385012
1-(oxan-4-yl)propan-2-amine
CID 21054632
(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387
2-(oxan-4-ylmethyl)propane-1,3-diol
CID 79450518
oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate
CID 107825386
methyl 2-methyl-3-(oxan-4-yl)propanoate
CID 67765970
1-(oxan-4-yl)-3-propylhexan-2-one
CID 114969192
2-amino-3-(oxan-4-yl)propanamide
CID 64990540
2-(oxan-4-ylmethyl)butan-1-ol
CID 66059203
CID 88879043
CID 88879043
3-ethyl-1-(oxan-4-yl)hexan-2-one
CID 123425617

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-(oxan-4-ylmethyl)pentan-2-one?
The IUPAC name of 5-hydroxy-3-(oxan-4-ylmethyl)pentan-2-one (CID 103344069) is 5-hydroxy-3-(oxan-4-ylmethyl)pentan-2-one.
What is the SMILES notation for 5-hydroxy-3-(oxan-4-ylmethyl)pentan-2-one?
The canonical SMILES for 5-hydroxy-3-(oxan-4-ylmethyl)pentan-2-one is CC(=O)C(CCO)CC1CCOCC1.
What is the InChIKey of 5-hydroxy-3-(oxan-4-ylmethyl)pentan-2-one?
The InChIKey is XWGNGTILGDYTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-9(13)11(2-5-12)8-10-3-6-14-7-4-10/h10-12H,2-8H2,1H3.
What are the key properties of 5-hydroxy-3-(oxan-4-ylmethyl)pentan-2-one?
5-hydroxy-3-(oxan-4-ylmethyl)pentan-2-one has a molecular weight of 200.28 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-(oxan-4-ylmethyl)pentan-2-one is sourced from PubChem (CID 103344069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).