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

C9H16O3 — CID 101174339

IUPAC(3S)-3-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one
SMILESCCC[C@@]1([C@H](C)O)CCOC1=O
InChIInChI=1S/C9H16O3/c1-3-4-9(7(2)10)5-6-12-8(9)11/h7,10H,3-6H2,1-2H3/t7-,9-/m0/s1
InChIKeyNQUGIJMSVXQZCR-CBAPKCEASA-N
MW172.22 g/mol
LogP1.10
Rot. Bonds3

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

(3S)-3-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one (PubChem CID 101174339) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is (3S)-3-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one.

Molecular Properties

Compound Name(3S)-3-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one
PubChem CID101174339
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(3S)-3-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one
SMILESCCC[C@@]1([C@H](C)O)CCOC1=O
InChIInChI=1S/C9H16O3/c1-3-4-9(7(2)10)5-6-12-8(9)11/h7,10H,3-6H2,1-2H3/t7-,9-/m0/s1
InChIKeyNQUGIJMSVXQZCR-CBAPKCEASA-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

(3S)-3-benzyl-3-[(1S)-1-hydroxyethyl]oxolan-2-one
CID 101174342
(3R)-3-ethyl-3-hydroxyoxolan-2-one
CID 100940075
1-(2-propyloxetan-2-yl)ethanol
CID 68634857
3-amino-3-pentyloxolan-2-one
CID 174336669
diethyl 2-[2-(3-acetyl-2-oxooxolan-3-yl)ethyl]propanedioate
CID 11120594
3-butyl-N-carbamothioyl-2-oxooxolane-3-carboxamide
CID 4038227
(3R)-3-methyl-3-[10-[(3R)-3-methyl-2-oxooxolan-3-yl]decyl]oxolan-2-one
CID 129405766
3-(chloromethyl)-3-hydroxyoxolan-2-one
CID 55302231
(3R)-3-methyl-2-oxooxolane-3-carbaldehyde
CID 95003018
(6S)-6-(hydroxymethyl)-3,3-dimethyl-6-propyloxan-2-one
CID 68861388
N-(3-methyl-2-oxooxolan-3-yl)acetamide
CID 551291
3-(aminomethyl)-3-methyloxolan-2-one
CID 90431319

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one?
The IUPAC name of (3S)-3-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one (CID 101174339) is (3S)-3-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one.
What is the SMILES notation for (3S)-3-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one?
The canonical SMILES for (3S)-3-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one is CCC[C@@]1([C@H](C)O)CCOC1=O.
What is the InChIKey of (3S)-3-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one?
The InChIKey is NQUGIJMSVXQZCR-CBAPKCEASA-N. The full InChI is InChI=1S/C9H16O3/c1-3-4-9(7(2)10)5-6-12-8(9)11/h7,10H,3-6H2,1-2H3/t7-,9-/m0/s1.
What are the key properties of (3S)-3-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one?
(3S)-3-[(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 (3S)-3-[(1S)-1-hydroxyethyl]-3-propyloxolan-2-one is sourced from PubChem (CID 101174339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).