(4S,5S)-4-cyclopropyl-5-hydroxy-4-methyloxolan-2-one

C8H12O3 — CID 131041836

IUPAC(4S,5S)-4-cyclopropyl-5-hydroxy-4-methyloxolan-2-one
SMILESC[C@@]1(C2CC2)CC(=O)O[C@@H]1O
InChIInChI=1S/C8H12O3/c1-8(5-2-3-5)4-6(9)11-7(8)10/h5,7,10H,2-4H2,1H3/t7-,8-/m0/s1
InChIKeyGVLNXISHQACVCO-YUMQZZPRSA-N
MW156.18 g/mol
LogP0.67
Rot. Bonds1

About (4S,5S)-4-cyclopropyl-5-hydroxy-4-methyloxolan-2-one

(4S,5S)-4-cyclopropyl-5-hydroxy-4-methyloxolan-2-one (PubChem CID 131041836) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (4S,5S)-4-cyclopropyl-5-hydroxy-4-methyloxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-4-cyclopropyl-5-hydroxy-4-methyloxolan-2-one
PubChem CID131041836
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(4S,5S)-4-cyclopropyl-5-hydroxy-4-methyloxolan-2-one
SMILESC[C@@]1(C2CC2)CC(=O)O[C@@H]1O
InChIInChI=1S/C8H12O3/c1-8(5-2-3-5)4-6(9)11-7(8)10/h5,7,10H,2-4H2,1H3/t7-,8-/m0/s1
InChIKeyGVLNXISHQACVCO-YUMQZZPRSA-N
XLogP0.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-one
CID 101211008
7-hydroxy-5-methyl-2-oxabicyclo[3.2.2]nonan-3-one
CID 130144142
(3aR,3bS,5aS,6S,8aS,8bS)-6-hydroxy-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e][1]benzofuran-2-one
CID 58356573
3-cyclopropyl-3-methyloxolane-2,5-dione
CID 43134485
5-(1-iodoethyl)-4,4-dimethyloxolan-2-one
CID 71405328
(1R,2S,6R,7S)-5-hydroxy-2,6-dimethyl-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
CID 137387961
(1S,6R)-9,9-dimethyl-2-oxabicyclo[4.2.1]nonan-3-one
CID 98512039
(5R)-4-hydroxy-5-(hydroxymethyl)-4-methyloxolan-2-one
CID 45103169
(3aR,4S,7aS)-3a,4-dimethyl-3,4,5,7a-tetrahydro-1-benzofuran-2-one
CID 169408899
chloro(dihydrido)iridium;5-hydroxyoxolan-2-one;phosphane
CID 134947171
(3aR,5R,7S,7aS)-3-hydroxy-3a,5,7-trimethyl-3,4,5,6,7,7a-hexahydro-2-benzofuran-1-one
CID 122390419
cis-(1R,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
CID 915450

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-cyclopropyl-5-hydroxy-4-methyloxolan-2-one?
The IUPAC name of (4S,5S)-4-cyclopropyl-5-hydroxy-4-methyloxolan-2-one (CID 131041836) is (4S,5S)-4-cyclopropyl-5-hydroxy-4-methyloxolan-2-one.
What is the SMILES notation for (4S,5S)-4-cyclopropyl-5-hydroxy-4-methyloxolan-2-one?
The canonical SMILES for (4S,5S)-4-cyclopropyl-5-hydroxy-4-methyloxolan-2-one is C[C@@]1(C2CC2)CC(=O)O[C@@H]1O.
What is the InChIKey of (4S,5S)-4-cyclopropyl-5-hydroxy-4-methyloxolan-2-one?
The InChIKey is GVLNXISHQACVCO-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H12O3/c1-8(5-2-3-5)4-6(9)11-7(8)10/h5,7,10H,2-4H2,1H3/t7-,8-/m0/s1.
What are the key properties of (4S,5S)-4-cyclopropyl-5-hydroxy-4-methyloxolan-2-one?
(4S,5S)-4-cyclopropyl-5-hydroxy-4-methyloxolan-2-one has a molecular weight of 156.18 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-cyclopropyl-5-hydroxy-4-methyloxolan-2-one is sourced from PubChem (CID 131041836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).