(3E,4E)-3,4-di(ethylidene)oxolane

C8H12O — CID 13351107

IUPAC(3E,4E)-3,4-di(ethylidene)oxolane
SMILESC/C=C1/COC/C1=C/C
InChIInChI=1S/C8H12O/c1-3-7-5-9-6-8(7)4-2/h3-4H,5-6H2,1-2H3/b7-3-,8-4-
InChIKeyYEPAPRWCINITLC-VHOZIDCHSA-N
MW124.18 g/mol
LogP1.91
Rot. Bonds

About (3E,4E)-3,4-di(ethylidene)oxolane

(3E,4E)-3,4-di(ethylidene)oxolane (PubChem CID 13351107) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (3E,4E)-3,4-di(ethylidene)oxolane.

Molecular Properties

Compound Name(3E,4E)-3,4-di(ethylidene)oxolane
PubChem CID13351107
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(3E,4E)-3,4-di(ethylidene)oxolane
SMILESC/C=C1/COC/C1=C/C
InChIInChI=1S/C8H12O/c1-3-7-5-9-6-8(7)4-2/h3-4H,5-6H2,1-2H3/b7-3-,8-4-
InChIKeyYEPAPRWCINITLC-VHOZIDCHSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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 (3E,4E)-3,4-di(ethylidene)oxolane?
The IUPAC name of (3E,4E)-3,4-di(ethylidene)oxolane (CID 13351107) is (3E,4E)-3,4-di(ethylidene)oxolane.
What is the SMILES notation for (3E,4E)-3,4-di(ethylidene)oxolane?
The canonical SMILES for (3E,4E)-3,4-di(ethylidene)oxolane is C/C=C1/COC/C1=C/C.
What is the InChIKey of (3E,4E)-3,4-di(ethylidene)oxolane?
The InChIKey is YEPAPRWCINITLC-VHOZIDCHSA-N. The full InChI is InChI=1S/C8H12O/c1-3-7-5-9-6-8(7)4-2/h3-4H,5-6H2,1-2H3/b7-3-,8-4-.
What are the key properties of (3E,4E)-3,4-di(ethylidene)oxolane?
(3E,4E)-3,4-di(ethylidene)oxolane has a molecular weight of 124.18 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4E)-3,4-di(ethylidene)oxolane is sourced from PubChem (CID 13351107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).