(4E)-3-methylidene-4-propylideneoxolane

C8H12O — CID 146613341

IUPAC(4E)-3-methylidene-4-propylideneoxolane
SMILESC=C1COC/C1=C/CC
InChIInChI=1S/C8H12O/c1-3-4-8-6-9-5-7(8)2/h4H,2-3,5-6H2,1H3/b8-4-
InChIKeyYTZWLCUSBSPTMA-YWEYNIOJSA-N
MW124.18 g/mol
LogP1.91
Rot. Bonds1

About (4E)-3-methylidene-4-propylideneoxolane

(4E)-3-methylidene-4-propylideneoxolane (PubChem CID 146613341) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (4E)-3-methylidene-4-propylideneoxolane.

Molecular Properties

Compound Name(4E)-3-methylidene-4-propylideneoxolane
PubChem CID146613341
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(4E)-3-methylidene-4-propylideneoxolane
SMILESC=C1COC/C1=C/CC
InChIInChI=1S/C8H12O/c1-3-4-8-6-9-5-7(8)2/h4H,2-3,5-6H2,1H3/b8-4-
InChIKeyYTZWLCUSBSPTMA-YWEYNIOJSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4E)-3-methylidene-4-propylideneoxolane?
The IUPAC name of (4E)-3-methylidene-4-propylideneoxolane (CID 146613341) is (4E)-3-methylidene-4-propylideneoxolane.
What is the SMILES notation for (4E)-3-methylidene-4-propylideneoxolane?
The canonical SMILES for (4E)-3-methylidene-4-propylideneoxolane is C=C1COC/C1=C/CC.
What is the InChIKey of (4E)-3-methylidene-4-propylideneoxolane?
The InChIKey is YTZWLCUSBSPTMA-YWEYNIOJSA-N. The full InChI is InChI=1S/C8H12O/c1-3-4-8-6-9-5-7(8)2/h4H,2-3,5-6H2,1H3/b8-4-.
What are the key properties of (4E)-3-methylidene-4-propylideneoxolane?
(4E)-3-methylidene-4-propylideneoxolane has a molecular weight of 124.18 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-methylidene-4-propylideneoxolane is sourced from PubChem (CID 146613341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).