2-(3-ethynyloxetan-3-yl)oxyethanol

C7H10O3 — CID 162406277

IUPAC2-(3-ethynyloxetan-3-yl)oxyethanol
SMILESC#CC1(OCCO)COC1
InChIInChI=1S/C7H10O3/c1-2-7(5-9-6-7)10-4-3-8/h1,8H,3-6H2
InChIKeyAMHYOHGYIBLSDB-UHFFFAOYSA-N
MW142.15 g/mol
LogP-0.60
Rot. Bonds3

About 2-(3-ethynyloxetan-3-yl)oxyethanol

2-(3-ethynyloxetan-3-yl)oxyethanol (PubChem CID 162406277) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2-(3-ethynyloxetan-3-yl)oxyethanol.

Molecular Properties

Compound Name2-(3-ethynyloxetan-3-yl)oxyethanol
PubChem CID162406277
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2-(3-ethynyloxetan-3-yl)oxyethanol
SMILESC#CC1(OCCO)COC1
InChIInChI=1S/C7H10O3/c1-2-7(5-9-6-7)10-4-3-8/h1,8H,3-6H2
InChIKeyAMHYOHGYIBLSDB-UHFFFAOYSA-N
XLogP-0.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 5-0.60
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

2-(3-ethynyloxetan-3-yl)oxyacetamide
CID 176699633
1-(2-hydroxyethoxy)-4,4-dimethylcyclohexane-1-carbonitrile
CID 103375901
2-[[21-(bromomethyl)-1,4,7,10,13,16,19-heptaoxacyclodocos-21-yl]oxy]ethanol
CID 10719329
2-[(3R)-3-(aminomethyl)oxolan-3-yl]oxyethanol
CID 124681348
2-(3-thiophen-2-yloxetan-3-yl)oxyethanol
CID 162405161
2-[3-(trifluoromethyl)oxolan-3-yl]oxyethanol
CID 166516980
4-(2-hydroxyethoxy)-1,3-dihydroisochromene-4-carbonitrile
CID 107150380
N'-[(E)-but-2-en-2-yl]oxy-1-(2-hydroxyethoxy)cyclopentane-1-carboximidamide
CID 141131014
2-[2-(2-hydroxyethoxy)morpholin-2-yl]oxyethanol
CID 175546254
1-(3-hydroxypropoxy)cyclooctane-1-carbonitrile
CID 103376575
2-pent-4-yn-2-yloxyethanol
CID 130124823
4-(2-hydroxyethoxy)-1,3-dihydroisochromene-4-carboxylic acid
CID 107150454

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethynyloxetan-3-yl)oxyethanol?
The IUPAC name of 2-(3-ethynyloxetan-3-yl)oxyethanol (CID 162406277) is 2-(3-ethynyloxetan-3-yl)oxyethanol.
What is the SMILES notation for 2-(3-ethynyloxetan-3-yl)oxyethanol?
The canonical SMILES for 2-(3-ethynyloxetan-3-yl)oxyethanol is C#CC1(OCCO)COC1.
What is the InChIKey of 2-(3-ethynyloxetan-3-yl)oxyethanol?
The InChIKey is AMHYOHGYIBLSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-7(5-9-6-7)10-4-3-8/h1,8H,3-6H2.
What are the key properties of 2-(3-ethynyloxetan-3-yl)oxyethanol?
2-(3-ethynyloxetan-3-yl)oxyethanol has a molecular weight of 142.15 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethynyloxetan-3-yl)oxyethanol is sourced from PubChem (CID 162406277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).