(2E,3Z)-3-ethylidene-2-prop-2-ynylideneoxolane

C9H10O — CID 142120827

IUPAC(2E,3Z)-3-ethylidene-2-prop-2-ynylideneoxolane
SMILESC#C/C=C1/OCC/C1=C/C
InChIInChI=1S/C9H10O/c1-3-5-9-8(4-2)6-7-10-9/h1,4-5H,6-7H2,2H3/b8-4-,9-5+
InChIKeyWRVYZYGAMNKZHW-MVTUOISNSA-N
MW134.18 g/mol
LogP1.87
Rot. Bonds

About (2E,3Z)-3-ethylidene-2-prop-2-ynylideneoxolane

(2E,3Z)-3-ethylidene-2-prop-2-ynylideneoxolane (PubChem CID 142120827) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is (2E,3Z)-3-ethylidene-2-prop-2-ynylideneoxolane.

Molecular Properties

Compound Name(2E,3Z)-3-ethylidene-2-prop-2-ynylideneoxolane
PubChem CID142120827
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name(2E,3Z)-3-ethylidene-2-prop-2-ynylideneoxolane
SMILESC#C/C=C1/OCC/C1=C/C
InChIInChI=1S/C9H10O/c1-3-5-9-8(4-2)6-7-10-9/h1,4-5H,6-7H2,2H3/b8-4-,9-5+
InChIKeyWRVYZYGAMNKZHW-MVTUOISNSA-N
XLogP1.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-3-ethylidene-2-prop-2-ynylideneoxolane?
The IUPAC name of (2E,3Z)-3-ethylidene-2-prop-2-ynylideneoxolane (CID 142120827) is (2E,3Z)-3-ethylidene-2-prop-2-ynylideneoxolane.
What is the SMILES notation for (2E,3Z)-3-ethylidene-2-prop-2-ynylideneoxolane?
The canonical SMILES for (2E,3Z)-3-ethylidene-2-prop-2-ynylideneoxolane is C#C/C=C1/OCC/C1=C/C.
What is the InChIKey of (2E,3Z)-3-ethylidene-2-prop-2-ynylideneoxolane?
The InChIKey is WRVYZYGAMNKZHW-MVTUOISNSA-N. The full InChI is InChI=1S/C9H10O/c1-3-5-9-8(4-2)6-7-10-9/h1,4-5H,6-7H2,2H3/b8-4-,9-5+.
What are the key properties of (2E,3Z)-3-ethylidene-2-prop-2-ynylideneoxolane?
(2E,3Z)-3-ethylidene-2-prop-2-ynylideneoxolane has a molecular weight of 134.18 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-3-ethylidene-2-prop-2-ynylideneoxolane is sourced from PubChem (CID 142120827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).