(5R)-5-[(1R)-1-hydroxyprop-2-ynyl]oxolan-2-one

C7H8O3 — CID 45113846

IUPAC(5R)-5-[(1R)-1-hydroxyprop-2-ynyl]oxolan-2-one
SMILESC#C[C@@H](O)[C@H]1CCC(=O)O1
InChIInChI=1S/C7H8O3/c1-2-5(8)6-3-4-7(9)10-6/h1,5-6,8H,3-4H2/t5-,6-/m1/s1
InChIKeyLYFZFOKJTJVCNA-PHDIDXHHSA-N
MW140.14 g/mol
LogP-0.31
Rot. Bonds1

About (5R)-5-[(1R)-1-hydroxyprop-2-ynyl]oxolan-2-one

(5R)-5-[(1R)-1-hydroxyprop-2-ynyl]oxolan-2-one (PubChem CID 45113846) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is (5R)-5-[(1R)-1-hydroxyprop-2-ynyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(1R)-1-hydroxyprop-2-ynyl]oxolan-2-one
PubChem CID45113846
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name(5R)-5-[(1R)-1-hydroxyprop-2-ynyl]oxolan-2-one
SMILESC#C[C@@H](O)[C@H]1CCC(=O)O1
InChIInChI=1S/C7H8O3/c1-2-5(8)6-3-4-7(9)10-6/h1,5-6,8H,3-4H2/t5-,6-/m1/s1
InChIKeyLYFZFOKJTJVCNA-PHDIDXHHSA-N
XLogP-0.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(1S,2S)-1,2,3-trihydroxypropyl]oxolan-2-one
CID 130803122
(5R)-5-[(1S)-2-bromo-1-hydroxyethyl]oxolan-2-one
CID 11735937
5-[[tert-butyl(dimethyl)silyl]-hydroxymethyl]oxolan-2-one
CID 69374785
(5S)-5-[(R)-hydroxy(phenyl)methyl]oxolan-2-one
CID 11229284
5-(1-iodoethyl)oxolan-2-one
CID 101198694
(5S)-5-[(1S)-1-bromopropyl]oxolan-2-one
CID 134965228
(5R)-5-[(1S)-1-hydroxypentadecyl]oxolan-2-one
CID 139039707
(5S)-5-[(1R)-1-hydroxy-2-phenylethyl]oxolan-2-one
CID 10867470
(5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-one
CID 11748091
(5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one
CID 10584814
(1S)-1-(oxolan-2-yl)prop-2-yn-1-ol
CID 130563392
(5S)-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]oxolan-2-one
CID 132579136

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1R)-1-hydroxyprop-2-ynyl]oxolan-2-one?
The IUPAC name of (5R)-5-[(1R)-1-hydroxyprop-2-ynyl]oxolan-2-one (CID 45113846) is (5R)-5-[(1R)-1-hydroxyprop-2-ynyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(1R)-1-hydroxyprop-2-ynyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(1R)-1-hydroxyprop-2-ynyl]oxolan-2-one is C#C[C@@H](O)[C@H]1CCC(=O)O1.
What is the InChIKey of (5R)-5-[(1R)-1-hydroxyprop-2-ynyl]oxolan-2-one?
The InChIKey is LYFZFOKJTJVCNA-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H8O3/c1-2-5(8)6-3-4-7(9)10-6/h1,5-6,8H,3-4H2/t5-,6-/m1/s1.
What are the key properties of (5R)-5-[(1R)-1-hydroxyprop-2-ynyl]oxolan-2-one?
(5R)-5-[(1R)-1-hydroxyprop-2-ynyl]oxolan-2-one has a molecular weight of 140.14 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1R)-1-hydroxyprop-2-ynyl]oxolan-2-one is sourced from PubChem (CID 45113846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).