(3Z,4Z)-3-(cyclopenta-1,3-dien-1-ylmethylidene)-4-inden-1-ylideneoxolane

C19H15O- — CID 138962215

IUPAC(3Z,4Z)-3-(cyclopenta-1,3-dien-1-ylmethylidene)-4-inden-1-ylideneoxolane
SMILESC1=Cc2ccccc2/C1=C1\COC\C1=C/c1ccc[cH-]1
InChIInChI=1S/C19H15O/c1-2-6-14(5-1)11-16-12-20-13-19(16)18-10-9-15-7-3-4-8-17(15)18/h1-11H,12-13H2/q-1/b16-11+,19-18+
InChIKeyWBBIRKVTQIGESK-FLXQFUDPSA-N
MW259.33 g/mol
LogP4.30
Rot. Bonds1

About (3Z,4Z)-3-(cyclopenta-1,3-dien-1-ylmethylidene)-4-inden-1-ylideneoxolane

(3Z,4Z)-3-(cyclopenta-1,3-dien-1-ylmethylidene)-4-inden-1-ylideneoxolane (PubChem CID 138962215) has the molecular formula C19H15O- and a molecular weight of 259.33 g/mol. Its IUPAC name is (3Z,4Z)-3-(cyclopenta-1,3-dien-1-ylmethylidene)-4-inden-1-ylideneoxolane.

Molecular Properties

Compound Name(3Z,4Z)-3-(cyclopenta-1,3-dien-1-ylmethylidene)-4-inden-1-ylideneoxolane
PubChem CID138962215
Molecular FormulaC19H15O-
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC Name(3Z,4Z)-3-(cyclopenta-1,3-dien-1-ylmethylidene)-4-inden-1-ylideneoxolane
SMILESC1=Cc2ccccc2/C1=C1\COC\C1=C/c1ccc[cH-]1
InChIInChI=1S/C19H15O/c1-2-6-14(5-1)11-16-12-20-13-19(16)18-10-9-15-7-3-4-8-17(15)18/h1-11H,12-13H2/q-1/b16-11+,19-18+
InChIKeyWBBIRKVTQIGESK-FLXQFUDPSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,4Z)-3-(cyclopenta-1,3-dien-1-ylmethylidene)-4-inden-1-ylideneoxolane?
The IUPAC name of (3Z,4Z)-3-(cyclopenta-1,3-dien-1-ylmethylidene)-4-inden-1-ylideneoxolane (CID 138962215) is (3Z,4Z)-3-(cyclopenta-1,3-dien-1-ylmethylidene)-4-inden-1-ylideneoxolane.
What is the SMILES notation for (3Z,4Z)-3-(cyclopenta-1,3-dien-1-ylmethylidene)-4-inden-1-ylideneoxolane?
The canonical SMILES for (3Z,4Z)-3-(cyclopenta-1,3-dien-1-ylmethylidene)-4-inden-1-ylideneoxolane is C1=Cc2ccccc2/C1=C1\COC\C1=C/c1ccc[cH-]1.
What is the InChIKey of (3Z,4Z)-3-(cyclopenta-1,3-dien-1-ylmethylidene)-4-inden-1-ylideneoxolane?
The InChIKey is WBBIRKVTQIGESK-FLXQFUDPSA-N. The full InChI is InChI=1S/C19H15O/c1-2-6-14(5-1)11-16-12-20-13-19(16)18-10-9-15-7-3-4-8-17(15)18/h1-11H,12-13H2/q-1/b16-11+,19-18+.
What are the key properties of (3Z,4Z)-3-(cyclopenta-1,3-dien-1-ylmethylidene)-4-inden-1-ylideneoxolane?
(3Z,4Z)-3-(cyclopenta-1,3-dien-1-ylmethylidene)-4-inden-1-ylideneoxolane has a molecular weight of 259.33 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,4Z)-3-(cyclopenta-1,3-dien-1-ylmethylidene)-4-inden-1-ylideneoxolane is sourced from PubChem (CID 138962215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).