(1Z)-2',7'-dimethylspiro[cyclooctene-3,9'-fluorene]

C22H24 — CID 59318731

IUPAC(1Z)-2',7'-dimethylspiro[cyclooctene-3,9'-fluorene]
SMILESCc1ccc2c(c1)C1(/C=C\CCCCC1)c1cc(C)ccc1-2
InChIInChI=1S/C22H24/c1-16-8-10-18-19-11-9-17(2)15-21(19)22(20(18)14-16)12-6-4-3-5-7-13-22/h6,8-12,14-15H,3-5,7,13H2,1-2H3/b12-6-
InChIKeyIBNFRWGMHKJRMV-SDQBBNPISA-N
MW288.43 g/mol
LogP6.09
Rot. Bonds

About (1Z)-2',7'-dimethylspiro[cyclooctene-3,9'-fluorene]

(1Z)-2',7'-dimethylspiro[cyclooctene-3,9'-fluorene] (PubChem CID 59318731) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is (1Z)-2',7'-dimethylspiro[cyclooctene-3,9'-fluorene].

Molecular Properties

Compound Name(1Z)-2',7'-dimethylspiro[cyclooctene-3,9'-fluorene]
PubChem CID59318731
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name(1Z)-2',7'-dimethylspiro[cyclooctene-3,9'-fluorene]
SMILESCc1ccc2c(c1)C1(/C=C\CCCCC1)c1cc(C)ccc1-2
InChIInChI=1S/C22H24/c1-16-8-10-18-19-11-9-17(2)15-21(19)22(20(18)14-16)12-6-4-3-5-7-13-22/h6,8-12,14-15H,3-5,7,13H2,1-2H3/b12-6-
InChIKeyIBNFRWGMHKJRMV-SDQBBNPISA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (1Z)-2',7'-dimethylspiro[cyclooctene-3,9'-fluorene]?
The IUPAC name of (1Z)-2',7'-dimethylspiro[cyclooctene-3,9'-fluorene] (CID 59318731) is (1Z)-2',7'-dimethylspiro[cyclooctene-3,9'-fluorene].
What is the SMILES notation for (1Z)-2',7'-dimethylspiro[cyclooctene-3,9'-fluorene]?
The canonical SMILES for (1Z)-2',7'-dimethylspiro[cyclooctene-3,9'-fluorene] is Cc1ccc2c(c1)C1(/C=C\CCCCC1)c1cc(C)ccc1-2.
What is the InChIKey of (1Z)-2',7'-dimethylspiro[cyclooctene-3,9'-fluorene]?
The InChIKey is IBNFRWGMHKJRMV-SDQBBNPISA-N. The full InChI is InChI=1S/C22H24/c1-16-8-10-18-19-11-9-17(2)15-21(19)22(20(18)14-16)12-6-4-3-5-7-13-22/h6,8-12,14-15H,3-5,7,13H2,1-2H3/b12-6-.
What are the key properties of (1Z)-2',7'-dimethylspiro[cyclooctene-3,9'-fluorene]?
(1Z)-2',7'-dimethylspiro[cyclooctene-3,9'-fluorene] has a molecular weight of 288.43 g/mol, XLogP of 6.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2',7'-dimethylspiro[cyclooctene-3,9'-fluorene] is sourced from PubChem (CID 59318731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).