(2E,3Z)-2,3-di(ethylidene)spiro[cyclohexane-1,9'-fluorene]

C22H22 — CID 156812497

IUPAC(2E,3Z)-2,3-di(ethylidene)spiro[cyclohexane-1,9'-fluorene]
SMILESC/C=C1/CCCC2(/C1=C/C)c1ccccc1-c1ccccc12
InChIInChI=1S/C22H22/c1-3-16-10-9-15-22(19(16)4-2)20-13-7-5-11-17(20)18-12-6-8-14-21(18)22/h3-8,11-14H,9-10,15H2,1-2H3/b16-3-,19-4+
InChIKeyFLXICAFVWUTUHN-KRZGJESGSA-N
MW286.42 g/mol
LogP6.03
Rot. Bonds

About (2E,3Z)-2,3-di(ethylidene)spiro[cyclohexane-1,9'-fluorene]

(2E,3Z)-2,3-di(ethylidene)spiro[cyclohexane-1,9'-fluorene] (PubChem CID 156812497) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is (2E,3Z)-2,3-di(ethylidene)spiro[cyclohexane-1,9'-fluorene].

Molecular Properties

Compound Name(2E,3Z)-2,3-di(ethylidene)spiro[cyclohexane-1,9'-fluorene]
PubChem CID156812497
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name(2E,3Z)-2,3-di(ethylidene)spiro[cyclohexane-1,9'-fluorene]
SMILESC/C=C1/CCCC2(/C1=C/C)c1ccccc1-c1ccccc12
InChIInChI=1S/C22H22/c1-3-16-10-9-15-22(19(16)4-2)20-13-7-5-11-17(20)18-12-6-8-14-21(18)22/h3-8,11-14H,9-10,15H2,1-2H3/b16-3-,19-4+
InChIKeyFLXICAFVWUTUHN-KRZGJESGSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2E,3Z)-2,3-di(ethylidene)spiro[cyclohexane-1,9'-fluorene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2,3-di(ethylidene)spiro[cyclohexane-1,9'-fluorene]?
The IUPAC name of (2E,3Z)-2,3-di(ethylidene)spiro[cyclohexane-1,9'-fluorene] (CID 156812497) is (2E,3Z)-2,3-di(ethylidene)spiro[cyclohexane-1,9'-fluorene].
What is the SMILES notation for (2E,3Z)-2,3-di(ethylidene)spiro[cyclohexane-1,9'-fluorene]?
The canonical SMILES for (2E,3Z)-2,3-di(ethylidene)spiro[cyclohexane-1,9'-fluorene] is C/C=C1/CCCC2(/C1=C/C)c1ccccc1-c1ccccc12.
What is the InChIKey of (2E,3Z)-2,3-di(ethylidene)spiro[cyclohexane-1,9'-fluorene]?
The InChIKey is FLXICAFVWUTUHN-KRZGJESGSA-N. The full InChI is InChI=1S/C22H22/c1-3-16-10-9-15-22(19(16)4-2)20-13-7-5-11-17(20)18-12-6-8-14-21(18)22/h3-8,11-14H,9-10,15H2,1-2H3/b16-3-,19-4+.
What are the key properties of (2E,3Z)-2,3-di(ethylidene)spiro[cyclohexane-1,9'-fluorene]?
(2E,3Z)-2,3-di(ethylidene)spiro[cyclohexane-1,9'-fluorene] has a molecular weight of 286.42 g/mol, XLogP of 6.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2,3-di(ethylidene)spiro[cyclohexane-1,9'-fluorene] is sourced from PubChem (CID 156812497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).