2-ethenyl-5-methyloxolan-3-ol

C7H12O2 — CID 85299218

IUPAC2-ethenyl-5-methyloxolan-3-ol
SMILESC=CC1OC(C)CC1O
InChIInChI=1S/C7H12O2/c1-3-7-6(8)4-5(2)9-7/h3,5-8H,1,4H2,2H3
InChIKeyWMXVUWLTGMFXNL-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.71
Rot. Bonds1

About 2-ethenyl-5-methyloxolan-3-ol

2-ethenyl-5-methyloxolan-3-ol (PubChem CID 85299218) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-ethenyl-5-methyloxolan-3-ol.

Molecular Properties

Compound Name2-ethenyl-5-methyloxolan-3-ol
PubChem CID85299218
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-ethenyl-5-methyloxolan-3-ol
SMILESC=CC1OC(C)CC1O
InChIInChI=1S/C7H12O2/c1-3-7-6(8)4-5(2)9-7/h3,5-8H,1,4H2,2H3
InChIKeyWMXVUWLTGMFXNL-UHFFFAOYSA-N
XLogP0.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 2-ethenyl-5-methyloxolan-3-ol?
The IUPAC name of 2-ethenyl-5-methyloxolan-3-ol (CID 85299218) is 2-ethenyl-5-methyloxolan-3-ol.
What is the SMILES notation for 2-ethenyl-5-methyloxolan-3-ol?
The canonical SMILES for 2-ethenyl-5-methyloxolan-3-ol is C=CC1OC(C)CC1O.
What is the InChIKey of 2-ethenyl-5-methyloxolan-3-ol?
The InChIKey is WMXVUWLTGMFXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-7-6(8)4-5(2)9-7/h3,5-8H,1,4H2,2H3.
What are the key properties of 2-ethenyl-5-methyloxolan-3-ol?
2-ethenyl-5-methyloxolan-3-ol has a molecular weight of 128.17 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-methyloxolan-3-ol is sourced from PubChem (CID 85299218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).