2-ethynyl-2-(2-hydroxyethyl)oxolan-3-ol

C8H12O3 — CID 175850985

IUPAC2-ethynyl-2-(2-hydroxyethyl)oxolan-3-ol
SMILESC#CC1(CCO)OCCC1O
InChIInChI=1S/C8H12O3/c1-2-8(4-5-9)7(10)3-6-11-8/h1,7,9-10H,3-6H2
InChIKeyYCNPVNVYYAYEFF-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.48
Rot. Bonds2

About 2-ethynyl-2-(2-hydroxyethyl)oxolan-3-ol

2-ethynyl-2-(2-hydroxyethyl)oxolan-3-ol (PubChem CID 175850985) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-ethynyl-2-(2-hydroxyethyl)oxolan-3-ol.

Molecular Properties

Compound Name2-ethynyl-2-(2-hydroxyethyl)oxolan-3-ol
PubChem CID175850985
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-ethynyl-2-(2-hydroxyethyl)oxolan-3-ol
SMILESC#CC1(CCO)OCCC1O
InChIInChI=1S/C8H12O3/c1-2-8(4-5-9)7(10)3-6-11-8/h1,7,9-10H,3-6H2
InChIKeyYCNPVNVYYAYEFF-UHFFFAOYSA-N
XLogP-0.48
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-2,2-dimethyloxolan-3-ol
CID 13327311
(2R,3S)-2-(hydroxymethyl)-2-(trifluoromethyl)oxolan-3-ol
CID 155149265
2,2-diethyloxolan-3-ol
CID 130122256
(3S)-2-methyloxolane-2,3-diol
CID 134855830
(4S)-1-oxaspiro[4.5]decan-4-ol
CID 134985958
4,4-bis(2-hydroxyethyl)cyclohexan-1-ol
CID 141270843
trans-(1R,2S)-1-(2-hydroxyethyl)cyclohexane-1,2-diol
CID 130991462
8-methyl-1-oxaspiro[4.5]decan-4-ol
CID 165460005
2-methyl-5-oxa-2-azaspiro[3.4]octan-8-ol
CID 146666678
2-[9-(2-hydroxyethyl)-4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl]ethanol
CID 71623579
[(4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] hydrogen phosphate
CID 164835779
ethane-1,2-diol;ethynylcyclopropane
CID 90281730

Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-2-(2-hydroxyethyl)oxolan-3-ol?
The IUPAC name of 2-ethynyl-2-(2-hydroxyethyl)oxolan-3-ol (CID 175850985) is 2-ethynyl-2-(2-hydroxyethyl)oxolan-3-ol.
What is the SMILES notation for 2-ethynyl-2-(2-hydroxyethyl)oxolan-3-ol?
The canonical SMILES for 2-ethynyl-2-(2-hydroxyethyl)oxolan-3-ol is C#CC1(CCO)OCCC1O.
What is the InChIKey of 2-ethynyl-2-(2-hydroxyethyl)oxolan-3-ol?
The InChIKey is YCNPVNVYYAYEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-8(4-5-9)7(10)3-6-11-8/h1,7,9-10H,3-6H2.
What are the key properties of 2-ethynyl-2-(2-hydroxyethyl)oxolan-3-ol?
2-ethynyl-2-(2-hydroxyethyl)oxolan-3-ol has a molecular weight of 156.18 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-2-(2-hydroxyethyl)oxolan-3-ol is sourced from PubChem (CID 175850985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).