(4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one

C8H14O4 — CID 58151972

IUPAC(4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one
SMILESCC(C)C[C@H]1OC(=O)C(O)[C@H]1O
InChIInChI=1S/C8H14O4/c1-4(2)3-5-6(9)7(10)8(11)12-5/h4-7,9-10H,3H2,1-2H3/t5-,6+,7?/m1/s1
InChIKeyLOINRHMYFYYXKW-JEAXJGTLSA-N
MW174.20 g/mol
LogP-0.32
Rot. Bonds2

About (4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one

(4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one (PubChem CID 58151972) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one.

Molecular Properties

Compound Name(4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one
PubChem CID58151972
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one
SMILESCC(C)C[C@H]1OC(=O)C(O)[C@H]1O
InChIInChI=1S/C8H14O4/c1-4(2)3-5-6(9)7(10)8(11)12-5/h4-7,9-10H,3H2,1-2H3/t5-,6+,7?/m1/s1
InChIKeyLOINRHMYFYYXKW-JEAXJGTLSA-N
XLogP-0.32
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R,5S)-5-(chloromethyl)-3,4-dihydroxyoxolan-2-one
CID 55298554
5-(bromomethyl)-3,4-dihydroxyoxolan-2-one
CID 75089328
(3S,4S,5S)-5-(chloromethyl)-3,4-dihydroxyoxolan-2-one
CID 55298555
(3S,4R)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-one
CID 143531523
6-ethyl-3,4,5-trihydroxyoxan-2-one
CID 123675946
(4S)-3,4-dihydroxy-5-(2-hydroxyethyl)oxolan-2-one
CID 143150589
5-hydroxy-4-methyl-6-(2-methylpropyl)oxan-2-one
CID 13412077
(3S,4S,5S)-5-but-3-enyl-3,4-dihydroxyoxolan-2-one
CID 130918136
(4S,5S)-4,5-bis(2-methylpropyl)-1,3-dioxolan-2-one
CID 131845339
(4S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
CID 148905339
3,4-dihydroxy-5-tricosyloxolan-2-one
CID 78384597
(3S,4R,5R)-5-(azidomethyl)-3,4-dihydroxyoxolan-2-one
CID 130863136

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one?
The IUPAC name of (4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one (CID 58151972) is (4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one.
What is the SMILES notation for (4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one?
The canonical SMILES for (4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one is CC(C)C[C@H]1OC(=O)C(O)[C@H]1O.
What is the InChIKey of (4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one?
The InChIKey is LOINRHMYFYYXKW-JEAXJGTLSA-N. The full InChI is InChI=1S/C8H14O4/c1-4(2)3-5-6(9)7(10)8(11)12-5/h4-7,9-10H,3H2,1-2H3/t5-,6+,7?/m1/s1.
What are the key properties of (4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one?
(4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one has a molecular weight of 174.20 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3,4-dihydroxy-5-(2-methylpropyl)oxolan-2-one is sourced from PubChem (CID 58151972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).