6-ethyl-5-methylideneoxan-2-ol

C8H14O2 — CID 10725451

IUPAC6-ethyl-5-methylideneoxan-2-ol
SMILESC=C1CCC(O)OC1CC
InChIInChI=1S/C8H14O2/c1-3-7-6(2)4-5-8(9)10-7/h7-9H,2-5H2,1H3
InChIKeySQMUWRURZGYNMA-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.45
Rot. Bonds1

About 6-ethyl-5-methylideneoxan-2-ol

6-ethyl-5-methylideneoxan-2-ol (PubChem CID 10725451) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 6-ethyl-5-methylideneoxan-2-ol.

Molecular Properties

Compound Name6-ethyl-5-methylideneoxan-2-ol
PubChem CID10725451
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name6-ethyl-5-methylideneoxan-2-ol
SMILESC=C1CCC(O)OC1CC
InChIInChI=1S/C8H14O2/c1-3-7-6(2)4-5-8(9)10-7/h7-9H,2-5H2,1H3
InChIKeySQMUWRURZGYNMA-UHFFFAOYSA-N
XLogP1.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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-ethyl-5-methylideneoxan-2-ol?
The IUPAC name of 6-ethyl-5-methylideneoxan-2-ol (CID 10725451) is 6-ethyl-5-methylideneoxan-2-ol.
What is the SMILES notation for 6-ethyl-5-methylideneoxan-2-ol?
The canonical SMILES for 6-ethyl-5-methylideneoxan-2-ol is C=C1CCC(O)OC1CC.
What is the InChIKey of 6-ethyl-5-methylideneoxan-2-ol?
The InChIKey is SQMUWRURZGYNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-7-6(2)4-5-8(9)10-7/h7-9H,2-5H2,1H3.
What are the key properties of 6-ethyl-5-methylideneoxan-2-ol?
6-ethyl-5-methylideneoxan-2-ol has a molecular weight of 142.20 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methylideneoxan-2-ol is sourced from PubChem (CID 10725451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).