5-hydroxy-1-(oxan-4-yl)pentan-2-one

C10H18O3 — CID 106677450

IUPAC5-hydroxy-1-(oxan-4-yl)pentan-2-one
SMILESO=C(CCCO)CC1CCOCC1
InChIInChI=1S/C10H18O3/c11-5-1-2-10(12)8-9-3-6-13-7-4-9/h9,11H,1-8H2
InChIKeyLEZRJMFBXDXYTR-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.14
Rot. Bonds5

About 5-hydroxy-1-(oxan-4-yl)pentan-2-one

5-hydroxy-1-(oxan-4-yl)pentan-2-one (PubChem CID 106677450) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 5-hydroxy-1-(oxan-4-yl)pentan-2-one.

Molecular Properties

Compound Name5-hydroxy-1-(oxan-4-yl)pentan-2-one
PubChem CID106677450
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name5-hydroxy-1-(oxan-4-yl)pentan-2-one
SMILESO=C(CCCO)CC1CCOCC1
InChIInChI=1S/C10H18O3/c11-5-1-2-10(12)8-9-3-6-13-7-4-9/h9,11H,1-8H2
InChIKeyLEZRJMFBXDXYTR-UHFFFAOYSA-N
XLogP1.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-(3-Hydroxypropyl)cyclododecanone
CID 10130987
8-Hydroxy-2,6-dimethyloctan-4-one
CID 13574791
1-Hydroxy-3-methyloctan-4-one
CID 13164087
1-Hydroxy-6-methyl-5-nonanone
CID 24975752
8-Hydroxy-2,7-dimethyloctan-4-one
CID 91164934
7-Hydroxy-5-propylheptan-4-one
CID 129756401
6-Butyl-8-hydroxyoctan-5-one
CID 129756503
1,9-Dihydroxy-4,6-dimethylnonan-5-one
CID 12705604
Actinium;2-(2-hydroxyethyl)cyclododecan-1-one
CID 20650069
2-(2-Hydroxyethyl)cyclododecan-1-one
CID 20650070
3-(Hydroxymethyl)undecan-6-one
CID 57206872
6-(Hydroxymethyl)nonan-4-one
CID 57221241

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(oxan-4-yl)pentan-2-one?
The IUPAC name of 5-hydroxy-1-(oxan-4-yl)pentan-2-one (CID 106677450) is 5-hydroxy-1-(oxan-4-yl)pentan-2-one.
What is the SMILES notation for 5-hydroxy-1-(oxan-4-yl)pentan-2-one?
The canonical SMILES for 5-hydroxy-1-(oxan-4-yl)pentan-2-one is O=C(CCCO)CC1CCOCC1.
What is the InChIKey of 5-hydroxy-1-(oxan-4-yl)pentan-2-one?
The InChIKey is LEZRJMFBXDXYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c11-5-1-2-10(12)8-9-3-6-13-7-4-9/h9,11H,1-8H2.
What are the key properties of 5-hydroxy-1-(oxan-4-yl)pentan-2-one?
5-hydroxy-1-(oxan-4-yl)pentan-2-one has a molecular weight of 186.25 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(oxan-4-yl)pentan-2-one is sourced from PubChem (CID 106677450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).