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

C8H14O2 — CID 123669068

IUPAC2-(2-methyloxolan-3-yl)prop-2-en-1-ol
SMILESC=C(CO)C1CCOC1C
InChIInChI=1S/C8H14O2/c1-6(5-9)8-3-4-10-7(8)2/h7-9H,1,3-5H2,2H3
InChIKeyNHBYGSDPEFYTKW-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.96
Rot. Bonds2

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

2-(2-methyloxolan-3-yl)prop-2-en-1-ol (PubChem CID 123669068) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(2-methyloxolan-3-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(2-methyloxolan-3-yl)prop-2-en-1-ol
PubChem CID123669068
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-(2-methyloxolan-3-yl)prop-2-en-1-ol
SMILESC=C(CO)C1CCOC1C
InChIInChI=1S/C8H14O2/c1-6(5-9)8-3-4-10-7(8)2/h7-9H,1,3-5H2,2H3
InChIKeyNHBYGSDPEFYTKW-UHFFFAOYSA-N
XLogP0.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.96
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 2-(2-methyloxolan-3-yl)prop-2-en-1-ol?
The IUPAC name of 2-(2-methyloxolan-3-yl)prop-2-en-1-ol (CID 123669068) is 2-(2-methyloxolan-3-yl)prop-2-en-1-ol.
What is the SMILES notation for 2-(2-methyloxolan-3-yl)prop-2-en-1-ol?
The canonical SMILES for 2-(2-methyloxolan-3-yl)prop-2-en-1-ol is C=C(CO)C1CCOC1C.
What is the InChIKey of 2-(2-methyloxolan-3-yl)prop-2-en-1-ol?
The InChIKey is NHBYGSDPEFYTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(5-9)8-3-4-10-7(8)2/h7-9H,1,3-5H2,2H3.
What are the key properties of 2-(2-methyloxolan-3-yl)prop-2-en-1-ol?
2-(2-methyloxolan-3-yl)prop-2-en-1-ol has a molecular weight of 142.20 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolan-3-yl)prop-2-en-1-ol is sourced from PubChem (CID 123669068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).