(3R,5S)-5-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one

C9H16O3 — CID 124879599

IUPAC(3R,5S)-5-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one
SMILESCCC[C@@H]1C[C@@H]([C@H](C)O)OC1=O
InChIInChI=1S/C9H16O3/c1-3-4-7-5-8(6(2)10)12-9(7)11/h6-8,10H,3-5H2,1-2H3/t6-,7+,8-/m0/s1
InChIKeyUVESOUCOCXAJEF-RNJXMRFFSA-N
MW172.22 g/mol
LogP1.10
Rot. Bonds3

About (3R,5S)-5-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one

(3R,5S)-5-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one (PubChem CID 124879599) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (3R,5S)-5-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-5-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one
PubChem CID124879599
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(3R,5S)-5-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one
SMILESCCC[C@@H]1C[C@@H]([C@H](C)O)OC1=O
InChIInChI=1S/C9H16O3/c1-3-4-7-5-8(6(2)10)12-9(7)11/h6-8,10H,3-5H2,1-2H3/t6-,7+,8-/m0/s1
InChIKeyUVESOUCOCXAJEF-RNJXMRFFSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,2-dihydroxyethyl)-3-ethyloxolan-2-one
CID 68573722
5-oxo-4-propyloxolane-2-carboxylic acid
CID 67541536
(4R,6R)-4-[(1R)-1-hydroxyethyl]-6-tetradecyl-1,3-dioxan-2-one
CID 155933794
4-(1-hydroxyethyl)-3-propyloxetan-2-one
CID 139924529
(3S,5S)-3-amino-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-one
CID 130893170
6-[1-[4-[2,3-difluoro-4-(1-hydroxyethyl)phenyl]cyclohexyl]ethyl]-3-propyloxan-2-one
CID 70956439
(3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-butyloxolan-2-one
CID 57003776
(3S,5S)-3-(aminomethyl)-5-[(1S)-1-amino-2-methylpropyl]oxolan-2-one
CID 10932161
5-hydroxy-3-undecyloxolan-2-one
CID 10199009
(3R,5S)-5-[(1S)-1-amino-2-cyclohexylethyl]-3-butyloxolan-2-one;hydrochloride
CID 67905931
(3R)-5-methyl-3-pentyloxolan-2-one
CID 89288605
3-butyl-5-methyloxolan-2-one;ethane
CID 143288540

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one?
The IUPAC name of (3R,5S)-5-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one (CID 124879599) is (3R,5S)-5-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one.
What is the SMILES notation for (3R,5S)-5-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one?
The canonical SMILES for (3R,5S)-5-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one is CCC[C@@H]1C[C@@H]([C@H](C)O)OC1=O.
What is the InChIKey of (3R,5S)-5-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one?
The InChIKey is UVESOUCOCXAJEF-RNJXMRFFSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-4-7-5-8(6(2)10)12-9(7)11/h6-8,10H,3-5H2,1-2H3/t6-,7+,8-/m0/s1.
What are the key properties of (3R,5S)-5-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one?
(3R,5S)-5-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one has a molecular weight of 172.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one is sourced from PubChem (CID 124879599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).