2-(3-prop-2-enyloxetan-3-yl)oxyethanol

C8H14O3 — CID 162406552

IUPAC2-(3-prop-2-enyloxetan-3-yl)oxyethanol
SMILESC=CCC1(OCCO)COC1
InChIInChI=1S/C8H14O3/c1-2-3-8(6-10-7-8)11-5-4-9/h2,9H,1,3-7H2
InChIKeyQUUSXFUHYFTGTM-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.34
Rot. Bonds5

About 2-(3-prop-2-enyloxetan-3-yl)oxyethanol

2-(3-prop-2-enyloxetan-3-yl)oxyethanol (PubChem CID 162406552) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(3-prop-2-enyloxetan-3-yl)oxyethanol.

Molecular Properties

Compound Name2-(3-prop-2-enyloxetan-3-yl)oxyethanol
PubChem CID162406552
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-(3-prop-2-enyloxetan-3-yl)oxyethanol
SMILESC=CCC1(OCCO)COC1
InChIInChI=1S/C8H14O3/c1-2-3-8(6-10-7-8)11-5-4-9/h2,9H,1,3-7H2
InChIKeyQUUSXFUHYFTGTM-UHFFFAOYSA-N
XLogP0.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.34
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

3-(Prop-2-en-1-yl)oxetan-3-ol
CID 55280862
Diallyl diethylene glycol
CID 22034395
4-[(3-Methyloxetan-3-yl)oxymethyl]hepta-1,6-dien-4-ol
CID 162404747
[(2S)-2-prop-2-enyl-1,4-dioxan-2-yl]methanol
CID 162408582
Methane;3-prop-2-enyloxetan-3-ol
CID 67067139
1-[2-(2-Hydroxyethoxy)ethoxy]-2-methylpent-4-en-2-ol
CID 87244320
2-(1-Hydroxy-2-methylpent-4-en-2-yl)oxy-2-methylpent-4-en-1-ol
CID 87872077
1-Ethoxy-2-methylpent-4-en-2-ol
CID 71384768

Frequently Asked Questions

What is the IUPAC name of 2-(3-prop-2-enyloxetan-3-yl)oxyethanol?
The IUPAC name of 2-(3-prop-2-enyloxetan-3-yl)oxyethanol (CID 162406552) is 2-(3-prop-2-enyloxetan-3-yl)oxyethanol.
What is the SMILES notation for 2-(3-prop-2-enyloxetan-3-yl)oxyethanol?
The canonical SMILES for 2-(3-prop-2-enyloxetan-3-yl)oxyethanol is C=CCC1(OCCO)COC1.
What is the InChIKey of 2-(3-prop-2-enyloxetan-3-yl)oxyethanol?
The InChIKey is QUUSXFUHYFTGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-3-8(6-10-7-8)11-5-4-9/h2,9H,1,3-7H2.
What are the key properties of 2-(3-prop-2-enyloxetan-3-yl)oxyethanol?
2-(3-prop-2-enyloxetan-3-yl)oxyethanol has a molecular weight of 158.20 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-prop-2-enyloxetan-3-yl)oxyethanol is sourced from PubChem (CID 162406552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).