(2S,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-one

C10H16O3 — CID 53475023

IUPAC(2S,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-one
SMILESC=CC[C@@H]1O[C@@H](CCCO)CC1=O
InChIInChI=1S/C10H16O3/c1-2-4-10-9(12)7-8(13-10)5-3-6-11/h2,8,10-11H,1,3-7H2/t8-,10-/m0/s1
InChIKeyXNRTURGWKSEZLQ-WPRPVWTQSA-N
MW184.23 g/mol
LogP1.06
Rot. Bonds5

About (2S,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-one

(2S,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-one (PubChem CID 53475023) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (2S,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-one.

Molecular Properties

Compound Name(2S,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-one
PubChem CID53475023
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(2S,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-one
SMILESC=CC[C@@H]1O[C@@H](CCCO)CC1=O
InChIInChI=1S/C10H16O3/c1-2-4-10-9(12)7-8(13-10)5-3-6-11/h2,8,10-11H,1,3-7H2/t8-,10-/m0/s1
InChIKeyXNRTURGWKSEZLQ-WPRPVWTQSA-N
XLogP1.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S,5S)-2-prop-2-enyl-5-propyloxolan-3-one
CID 121242267
5-Pentyl-2-prop-2-enyloxolan-3-one
CID 135023370
5-But-3-enyl-2-prop-2-enyloxolan-3-one
CID 135042230
2-Pent-4-enyloxolan-3-one
CID 145994577
2,5-Bis(prop-2-enyl)oxolan-3-one
CID 70522629
3-[(2S,5S)-4-oxo-5-prop-2-enyloxolan-2-yl]propanoic acid
CID 129138396
(2S,5S)-5-butyl-2-prop-2-enyloxolan-3-one
CID 144744568
(E)-but-2-ene;ethane;(5S)-5-(3-hydroxypropyl)oxolan-3-one
CID 145591532
2-Hydroxy-1-(oxolan-2-yl)pent-4-en-1-one
CID 163366424

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-one?
The IUPAC name of (2S,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-one (CID 53475023) is (2S,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-one.
What is the SMILES notation for (2S,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-one?
The canonical SMILES for (2S,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-one is C=CC[C@@H]1O[C@@H](CCCO)CC1=O.
What is the InChIKey of (2S,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-one?
The InChIKey is XNRTURGWKSEZLQ-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H16O3/c1-2-4-10-9(12)7-8(13-10)5-3-6-11/h2,8,10-11H,1,3-7H2/t8-,10-/m0/s1.
What are the key properties of (2S,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-one?
(2S,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-one has a molecular weight of 184.23 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-(3-hydroxypropyl)-2-prop-2-enyloxolan-3-one is sourced from PubChem (CID 53475023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).