(4E)-3-methylidene-4-(4-methylideneoxolan-3-ylidene)oxolane

C10H12O2 — CID 134981554

IUPAC(4E)-3-methylidene-4-(4-methylideneoxolan-3-ylidene)oxolane
SMILESC=C1COC/C1=C1/COCC1=C
InChIInChI=1S/C10H12O2/c1-7-3-11-5-9(7)10-6-12-4-8(10)2/h1-6H2/b10-9+
InChIKeyCMXJEKYLQKJZHW-MDZDMXLPSA-N
MW164.20 g/mol
LogP1.46
Rot. Bonds

About (4E)-3-methylidene-4-(4-methylideneoxolan-3-ylidene)oxolane

(4E)-3-methylidene-4-(4-methylideneoxolan-3-ylidene)oxolane (PubChem CID 134981554) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (4E)-3-methylidene-4-(4-methylideneoxolan-3-ylidene)oxolane.

Molecular Properties

Compound Name(4E)-3-methylidene-4-(4-methylideneoxolan-3-ylidene)oxolane
PubChem CID134981554
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(4E)-3-methylidene-4-(4-methylideneoxolan-3-ylidene)oxolane
SMILESC=C1COC/C1=C1/COCC1=C
InChIInChI=1S/C10H12O2/c1-7-3-11-5-9(7)10-6-12-4-8(10)2/h1-6H2/b10-9+
InChIKeyCMXJEKYLQKJZHW-MDZDMXLPSA-N
XLogP1.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E)-3-methylidene-4-(4-methylideneoxolan-3-ylidene)oxolane?
The IUPAC name of (4E)-3-methylidene-4-(4-methylideneoxolan-3-ylidene)oxolane (CID 134981554) is (4E)-3-methylidene-4-(4-methylideneoxolan-3-ylidene)oxolane.
What is the SMILES notation for (4E)-3-methylidene-4-(4-methylideneoxolan-3-ylidene)oxolane?
The canonical SMILES for (4E)-3-methylidene-4-(4-methylideneoxolan-3-ylidene)oxolane is C=C1COC/C1=C1/COCC1=C.
What is the InChIKey of (4E)-3-methylidene-4-(4-methylideneoxolan-3-ylidene)oxolane?
The InChIKey is CMXJEKYLQKJZHW-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H12O2/c1-7-3-11-5-9(7)10-6-12-4-8(10)2/h1-6H2/b10-9+.
What are the key properties of (4E)-3-methylidene-4-(4-methylideneoxolan-3-ylidene)oxolane?
(4E)-3-methylidene-4-(4-methylideneoxolan-3-ylidene)oxolane has a molecular weight of 164.20 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-methylidene-4-(4-methylideneoxolan-3-ylidene)oxolane is sourced from PubChem (CID 134981554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).