(2S)-4-[(2S)-oxolan-2-yl]but-3-yn-2-ol

C8H12O2 — CID 124706731

IUPAC(2S)-4-[(2S)-oxolan-2-yl]but-3-yn-2-ol
SMILESC[C@H](O)C#C[C@@H]1CCCO1
InChIInChI=1S/C8H12O2/c1-7(9)4-5-8-3-2-6-10-8/h7-9H,2-3,6H2,1H3/t7-,8-/m0/s1
InChIKeyZSVZSRAZQGCZEI-YUMQZZPRSA-N
MW140.18 g/mol
LogP0.55
Rot. Bonds

About (2S)-4-[(2S)-oxolan-2-yl]but-3-yn-2-ol

(2S)-4-[(2S)-oxolan-2-yl]but-3-yn-2-ol (PubChem CID 124706731) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (2S)-4-[(2S)-oxolan-2-yl]but-3-yn-2-ol.

Molecular Properties

Compound Name(2S)-4-[(2S)-oxolan-2-yl]but-3-yn-2-ol
PubChem CID124706731
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(2S)-4-[(2S)-oxolan-2-yl]but-3-yn-2-ol
SMILESC[C@H](O)C#C[C@@H]1CCCO1
InChIInChI=1S/C8H12O2/c1-7(9)4-5-8-3-2-6-10-8/h7-9H,2-3,6H2,1H3/t7-,8-/m0/s1
InChIKeyZSVZSRAZQGCZEI-YUMQZZPRSA-N
XLogP0.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylbut-1-ynyl)oxane
CID 164769356
2-(3-methylbut-1-ynyl)oxetane
CID 118688794
2-(4-methylpent-1-ynyl)oxolane
CID 171837424
2-(oxolan-2-yl)ethynyl-tri(propan-2-yl)silane
CID 15362352
N-methyl-3-(oxolan-2-yl)prop-2-yn-1-amine
CID 117265086
4-[(2R,3R)-3-phenylmethoxyoxan-2-yl]but-3-yn-2-ol
CID 10945177
(2S)-oxolane-2-carbonitrile;(2R)-oxolane-2-carbonitrile
CID 159887703
1-(oxolan-2-yl)propane-1,2-diol
CID 142778097
1-[4-[2-(oxolan-2-yl)ethynyl]phenyl]ethanone
CID 102141437
2-oct-1-ynyloxolane
CID 15274342
acetylene;2-(1-hydroxyethyl)oxan-3-ol;methane
CID 159584740
1-(oxolan-2-yl)ethanol;propanal
CID 174771711

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2S)-oxolan-2-yl]but-3-yn-2-ol?
The IUPAC name of (2S)-4-[(2S)-oxolan-2-yl]but-3-yn-2-ol (CID 124706731) is (2S)-4-[(2S)-oxolan-2-yl]but-3-yn-2-ol.
What is the SMILES notation for (2S)-4-[(2S)-oxolan-2-yl]but-3-yn-2-ol?
The canonical SMILES for (2S)-4-[(2S)-oxolan-2-yl]but-3-yn-2-ol is C[C@H](O)C#C[C@@H]1CCCO1.
What is the InChIKey of (2S)-4-[(2S)-oxolan-2-yl]but-3-yn-2-ol?
The InChIKey is ZSVZSRAZQGCZEI-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H12O2/c1-7(9)4-5-8-3-2-6-10-8/h7-9H,2-3,6H2,1H3/t7-,8-/m0/s1.
What are the key properties of (2S)-4-[(2S)-oxolan-2-yl]but-3-yn-2-ol?
(2S)-4-[(2S)-oxolan-2-yl]but-3-yn-2-ol has a molecular weight of 140.18 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2S)-oxolan-2-yl]but-3-yn-2-ol is sourced from PubChem (CID 124706731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).