3-(oxolan-2-yl)prop-2-en-1-ol

C7H12O2 — CID 135023484

IUPAC3-(oxolan-2-yl)prop-2-en-1-ol
SMILESOCC=CC1CCCO1
InChIInChI=1S/C7H12O2/c8-5-1-3-7-4-2-6-9-7/h1,3,7-8H,2,4-6H2
InChIKeyTZOSSRBYEIGBON-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.71
Rot. Bonds2

About 3-(oxolan-2-yl)prop-2-en-1-ol

3-(oxolan-2-yl)prop-2-en-1-ol (PubChem CID 135023484) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-(oxolan-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(oxolan-2-yl)prop-2-en-1-ol
PubChem CID135023484
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3-(oxolan-2-yl)prop-2-en-1-ol
SMILESOCC=CC1CCCO1
InChIInChI=1S/C7H12O2/c8-5-1-3-7-4-2-6-9-7/h1,3,7-8H,2,4-6H2
InChIKeyTZOSSRBYEIGBON-UHFFFAOYSA-N
XLogP0.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)prop-2-en-1-ol?
The IUPAC name of 3-(oxolan-2-yl)prop-2-en-1-ol (CID 135023484) is 3-(oxolan-2-yl)prop-2-en-1-ol.
What is the SMILES notation for 3-(oxolan-2-yl)prop-2-en-1-ol?
The canonical SMILES for 3-(oxolan-2-yl)prop-2-en-1-ol is OCC=CC1CCCO1.
What is the InChIKey of 3-(oxolan-2-yl)prop-2-en-1-ol?
The InChIKey is TZOSSRBYEIGBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c8-5-1-3-7-4-2-6-9-7/h1,3,7-8H,2,4-6H2.
What are the key properties of 3-(oxolan-2-yl)prop-2-en-1-ol?
3-(oxolan-2-yl)prop-2-en-1-ol has a molecular weight of 128.17 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 135023484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).