(3E)-3-(oxolan-3-ylidene)oxolane

C8H12O2 — CID 118053325

IUPAC(3E)-3-(oxolan-3-ylidene)oxolane
SMILESC1C/C(=C2/CCOC2)CO1
InChIInChI=1S/C8H12O2/c1-3-9-5-7(1)8-2-4-10-6-8/h1-6H2/b8-7+
InChIKeyTWOOMYQKCUNHJM-BQYQJAHWSA-N
MW140.18 g/mol
LogP1.12
Rot. Bonds

About (3E)-3-(oxolan-3-ylidene)oxolane

(3E)-3-(oxolan-3-ylidene)oxolane (PubChem CID 118053325) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (3E)-3-(oxolan-3-ylidene)oxolane.

Molecular Properties

Compound Name(3E)-3-(oxolan-3-ylidene)oxolane
PubChem CID118053325
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(3E)-3-(oxolan-3-ylidene)oxolane
SMILESC1C/C(=C2/CCOC2)CO1
InChIInChI=1S/C8H12O2/c1-3-9-5-7(1)8-2-4-10-6-8/h1-6H2/b8-7+
InChIKeyTWOOMYQKCUNHJM-BQYQJAHWSA-N
XLogP1.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.12
H-Bond Donors ≤ 50
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 (3E)-3-(oxolan-3-ylidene)oxolane?
The IUPAC name of (3E)-3-(oxolan-3-ylidene)oxolane (CID 118053325) is (3E)-3-(oxolan-3-ylidene)oxolane.
What is the SMILES notation for (3E)-3-(oxolan-3-ylidene)oxolane?
The canonical SMILES for (3E)-3-(oxolan-3-ylidene)oxolane is C1C/C(=C2/CCOC2)CO1.
What is the InChIKey of (3E)-3-(oxolan-3-ylidene)oxolane?
The InChIKey is TWOOMYQKCUNHJM-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-9-5-7(1)8-2-4-10-6-8/h1-6H2/b8-7+.
What are the key properties of (3E)-3-(oxolan-3-ylidene)oxolane?
(3E)-3-(oxolan-3-ylidene)oxolane has a molecular weight of 140.18 g/mol, XLogP of 1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(oxolan-3-ylidene)oxolane is sourced from PubChem (CID 118053325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).