6-prop-2-enyloxan-2-ol

C8H14O2 — CID 73001182

IUPAC6-prop-2-enyloxan-2-ol
SMILESC=CCC1CCCC(O)O1
InChIInChI=1S/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h2,7-9H,1,3-6H2
InChIKeyIOEKYSIHSIVTGJ-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.45
Rot. Bonds2

About 6-prop-2-enyloxan-2-ol

6-prop-2-enyloxan-2-ol (PubChem CID 73001182) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 6-prop-2-enyloxan-2-ol.

Molecular Properties

Compound Name6-prop-2-enyloxan-2-ol
PubChem CID73001182
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name6-prop-2-enyloxan-2-ol
SMILESC=CCC1CCCC(O)O1
InChIInChI=1S/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h2,7-9H,1,3-6H2
InChIKeyIOEKYSIHSIVTGJ-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
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 6-prop-2-enyloxan-2-ol?
The IUPAC name of 6-prop-2-enyloxan-2-ol (CID 73001182) is 6-prop-2-enyloxan-2-ol.
What is the SMILES notation for 6-prop-2-enyloxan-2-ol?
The canonical SMILES for 6-prop-2-enyloxan-2-ol is C=CCC1CCCC(O)O1.
What is the InChIKey of 6-prop-2-enyloxan-2-ol?
The InChIKey is IOEKYSIHSIVTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-4-7-5-3-6-8(9)10-7/h2,7-9H,1,3-6H2.
What are the key properties of 6-prop-2-enyloxan-2-ol?
6-prop-2-enyloxan-2-ol has a molecular weight of 142.20 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enyloxan-2-ol is sourced from PubChem (CID 73001182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).