6-(2,4-dihydroxypentyl)oxan-2-one

C10H18O4 — CID 162814553

IUPAC6-(2,4-dihydroxypentyl)oxan-2-one
SMILESCC(O)CC(O)CC1CCCC(=O)O1
InChIInChI=1S/C10H18O4/c1-7(11)5-8(12)6-9-3-2-4-10(13)14-9/h7-9,11-12H,2-6H2,1H3
InChIKeyMRFXFWDDKXBNOQ-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.60
Rot. Bonds4

About 6-(2,4-dihydroxypentyl)oxan-2-one

6-(2,4-dihydroxypentyl)oxan-2-one (PubChem CID 162814553) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 6-(2,4-dihydroxypentyl)oxan-2-one.

Molecular Properties

Compound Name6-(2,4-dihydroxypentyl)oxan-2-one
PubChem CID162814553
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name6-(2,4-dihydroxypentyl)oxan-2-one
SMILESCC(O)CC(O)CC1CCCC(=O)O1
InChIInChI=1S/C10H18O4/c1-7(11)5-8(12)6-9-3-2-4-10(13)14-9/h7-9,11-12H,2-6H2,1H3
InChIKeyMRFXFWDDKXBNOQ-UHFFFAOYSA-N
XLogP0.60
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-6-[(2S)-2-hydroxyheptyl]oxan-2-one
CID 11367886
(2R)-2-[(2S,4S,6S)-2,4,6-trihydroxyheptyl]-2,3-dihydropyran-6-one
CID 11184129
ethyl 2-[(2R)-6-oxooxan-2-yl]acetate
CID 102379302
ethyl 2-methyl-3-(5-oxooxolan-2-yl)propanoate
CID 21037703
(6R)-6-[(5S)-5-methylheptyl]oxan-2-one
CID 163061475
[2-hydroxy-3-(6-oxooxan-2-yl)propyl] tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 20736092
(9R)-9-ethyloxonan-2-one
CID 54340758
16-ethyl-oxacyclohexadecan-2-one
CID 71324140
6-[(E)-hept-3-enyl]oxan-2-one
CID 122463299
6-[(2-methylcyclopropyl)methyl]oxan-2-one
CID 101144566
(4S)-9,11-dihydroxy-4-[(2S)-2-hydroxypropyl]-4,5,6,7-tetrahydro-1H-3-benzoxecine-2,8-dione
CID 156581559
6-icosyloxan-2-one
CID 100966702

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dihydroxypentyl)oxan-2-one?
The IUPAC name of 6-(2,4-dihydroxypentyl)oxan-2-one (CID 162814553) is 6-(2,4-dihydroxypentyl)oxan-2-one.
What is the SMILES notation for 6-(2,4-dihydroxypentyl)oxan-2-one?
The canonical SMILES for 6-(2,4-dihydroxypentyl)oxan-2-one is CC(O)CC(O)CC1CCCC(=O)O1.
What is the InChIKey of 6-(2,4-dihydroxypentyl)oxan-2-one?
The InChIKey is MRFXFWDDKXBNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-7(11)5-8(12)6-9-3-2-4-10(13)14-9/h7-9,11-12H,2-6H2,1H3.
What are the key properties of 6-(2,4-dihydroxypentyl)oxan-2-one?
6-(2,4-dihydroxypentyl)oxan-2-one has a molecular weight of 202.25 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dihydroxypentyl)oxan-2-one is sourced from PubChem (CID 162814553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).