2-ethyl-5-methylideneoxolan-3-ol

C7H12O2 — CID 54377835

IUPAC2-ethyl-5-methylideneoxolan-3-ol
SMILESC=C1CC(O)C(CC)O1
InChIInChI=1S/C7H12O2/c1-3-7-6(8)4-5(2)9-7/h6-8H,2-4H2,1H3
InChIKeyUXULHMAIKDMBDB-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.06
Rot. Bonds1

About 2-ethyl-5-methylideneoxolan-3-ol

2-ethyl-5-methylideneoxolan-3-ol (PubChem CID 54377835) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-ethyl-5-methylideneoxolan-3-ol.

Molecular Properties

Compound Name2-ethyl-5-methylideneoxolan-3-ol
PubChem CID54377835
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name2-ethyl-5-methylideneoxolan-3-ol
SMILESC=C1CC(O)C(CC)O1
InChIInChI=1S/C7H12O2/c1-3-7-6(8)4-5(2)9-7/h6-8H,2-4H2,1H3
InChIKeyUXULHMAIKDMBDB-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2E,3S,4R,5S)-2-(fluoromethylidene)-5-methyloxolane-3,4-diol
CID 134853658
(2Z,3S,4R,5S)-2-(fluoromethylidene)-5-methyloxolane-3,4-diol
CID 134969754
(2S,3R,4S)-2-methyl-5-methylideneoxolane-3,4-diol
CID 60105624
(2R,3R,4S)-2-prop-1-en-2-yloxolane-3,4-diol
CID 11240553
[(2S,3S)-3-(2-methylprop-2-enyl)oxiran-2-yl]methanol
CID 23628355
[3-(2-Methylprop-2-enyl)oxiran-2-yl]methanol
CID 72951767
2-Ethenyl-5-methyloxolan-3-ol
CID 85299218
(3R,5S)-5-prop-1-en-2-yloxolan-3-ol
CID 102378266
2-Ethyl-5-prop-2-enyloxolane-3,4-diol
CID 18716211
2-Ethyl-4-methoxy-5-prop-2-enyloxolan-3-ol
CID 18716226
2-(Hydroxymethyl)-6-methylideneoxan-4-ol
CID 18730127
(2S,4S)-2-methyl-5-methylideneoxolane-3,4-diol
CID 57893360

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methylideneoxolan-3-ol?
The IUPAC name of 2-ethyl-5-methylideneoxolan-3-ol (CID 54377835) is 2-ethyl-5-methylideneoxolan-3-ol.
What is the SMILES notation for 2-ethyl-5-methylideneoxolan-3-ol?
The canonical SMILES for 2-ethyl-5-methylideneoxolan-3-ol is C=C1CC(O)C(CC)O1.
What is the InChIKey of 2-ethyl-5-methylideneoxolan-3-ol?
The InChIKey is UXULHMAIKDMBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-3-7-6(8)4-5(2)9-7/h6-8H,2-4H2,1H3.
What are the key properties of 2-ethyl-5-methylideneoxolan-3-ol?
2-ethyl-5-methylideneoxolan-3-ol has a molecular weight of 128.17 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methylideneoxolan-3-ol is sourced from PubChem (CID 54377835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).