2-hydroxy-1-(oxan-3-yl)pentan-1-one

C10H18O3 — CID 107136058

IUPAC2-hydroxy-1-(oxan-3-yl)pentan-1-one
SMILESCCCC(O)C(=O)C1CCCOC1
InChIInChI=1S/C10H18O3/c1-2-4-9(11)10(12)8-5-3-6-13-7-8/h8-9,11H,2-7H2,1H3
InChIKeyWEZKQIKBMZTJSZ-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.14
Rot. Bonds4

About 2-hydroxy-1-(oxan-3-yl)pentan-1-one

2-hydroxy-1-(oxan-3-yl)pentan-1-one (PubChem CID 107136058) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-hydroxy-1-(oxan-3-yl)pentan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(oxan-3-yl)pentan-1-one
PubChem CID107136058
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-hydroxy-1-(oxan-3-yl)pentan-1-one
SMILESCCCC(O)C(=O)C1CCCOC1
InChIInChI=1S/C10H18O3/c1-2-4-9(11)10(12)8-5-3-6-13-7-8/h8-9,11H,2-7H2,1H3
InChIKeyWEZKQIKBMZTJSZ-UHFFFAOYSA-N
XLogP1.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethoxy-1-(oxan-3-yl)ethanone
CID 107135944
2-methoxy-1-(oxan-3-yl)butan-1-one
CID 107136005
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-hydroxypentan-1-one
CID 103453831
1-(oxan-3-yl)pentan-1-one
CID 65332332
2-cyclopropyl-1-(oxan-3-yl)propan-1-one
CID 107138628
N-(1-aminopentan-2-yl)oxane-3-carboxamide
CID 65191424
N-[2-(2-methylpentanoylamino)ethyl]oxane-3-carboxamide
CID 154759417
1-(oxan-3-yl)-2-phenylbutan-1-one
CID 107138534
(3R)-oxane-3-carboxylic acid
CID 42554318
pentyl oxane-3-carboxylate
CID 142409111
N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide
CID 109388602
oxane-3-carbonyl oxane-3-carboperoxoate
CID 23083566

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(oxan-3-yl)pentan-1-one?
The IUPAC name of 2-hydroxy-1-(oxan-3-yl)pentan-1-one (CID 107136058) is 2-hydroxy-1-(oxan-3-yl)pentan-1-one.
What is the SMILES notation for 2-hydroxy-1-(oxan-3-yl)pentan-1-one?
The canonical SMILES for 2-hydroxy-1-(oxan-3-yl)pentan-1-one is CCCC(O)C(=O)C1CCCOC1.
What is the InChIKey of 2-hydroxy-1-(oxan-3-yl)pentan-1-one?
The InChIKey is WEZKQIKBMZTJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-2-4-9(11)10(12)8-5-3-6-13-7-8/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-hydroxy-1-(oxan-3-yl)pentan-1-one?
2-hydroxy-1-(oxan-3-yl)pentan-1-one has a molecular weight of 186.25 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(oxan-3-yl)pentan-1-one is sourced from PubChem (CID 107136058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).