4-prop-2-enyloxan-4-ol

C8H14O2 — CID 79734199

IUPAC4-prop-2-enyloxan-4-ol
SMILESC=CCC1(O)CCOCC1
InChIInChI=1S/C8H14O2/c1-2-3-8(9)4-6-10-7-5-8/h2,9H,1,3-7H2
InChIKeyYXHPHKSSMJAOII-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.10
Rot. Bonds2

About 4-prop-2-enyloxan-4-ol

4-prop-2-enyloxan-4-ol (PubChem CID 79734199) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 4-prop-2-enyloxan-4-ol.

Molecular Properties

Compound Name4-prop-2-enyloxan-4-ol
PubChem CID79734199
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name4-prop-2-enyloxan-4-ol
SMILESC=CCC1(O)CCOCC1
InChIInChI=1S/C8H14O2/c1-2-3-8(9)4-6-10-7-5-8/h2,9H,1,3-7H2
InChIKeyYXHPHKSSMJAOII-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
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 4-prop-2-enyloxan-4-ol?
The IUPAC name of 4-prop-2-enyloxan-4-ol (CID 79734199) is 4-prop-2-enyloxan-4-ol.
What is the SMILES notation for 4-prop-2-enyloxan-4-ol?
The canonical SMILES for 4-prop-2-enyloxan-4-ol is C=CCC1(O)CCOCC1.
What is the InChIKey of 4-prop-2-enyloxan-4-ol?
The InChIKey is YXHPHKSSMJAOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-3-8(9)4-6-10-7-5-8/h2,9H,1,3-7H2.
What are the key properties of 4-prop-2-enyloxan-4-ol?
4-prop-2-enyloxan-4-ol has a molecular weight of 142.20 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyloxan-4-ol is sourced from PubChem (CID 79734199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).