2-(1-cyclohex-2-en-1-ylpent-4-enyl)-7-iodo-9,9-dimethylfluorene

C26H29I — CID 89170004

IUPAC2-(1-cyclohex-2-en-1-ylpent-4-enyl)-7-iodo-9,9-dimethylfluorene
SMILESC=CCCC(c1ccc2c(c1)C(C)(C)c1cc(I)ccc1-2)C1C=CCCC1
InChIInChI=1S/C26H29I/c1-4-5-11-21(18-9-7-6-8-10-18)19-12-14-22-23-15-13-20(27)17-25(23)26(2,3)24(22)16-19/h4,7,9,12-18,21H,1,5-6,8,10-11H2,2-3H3
InChIKeyBOGUUQLPSUVIRJ-UHFFFAOYSA-N
MW468.42 g/mol
LogP8.00
Rot. Bonds5

About 2-(1-cyclohex-2-en-1-ylpent-4-enyl)-7-iodo-9,9-dimethylfluorene

2-(1-cyclohex-2-en-1-ylpent-4-enyl)-7-iodo-9,9-dimethylfluorene (PubChem CID 89170004) has the molecular formula C26H29I and a molecular weight of 468.42 g/mol. Its IUPAC name is 2-(1-cyclohex-2-en-1-ylpent-4-enyl)-7-iodo-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-(1-cyclohex-2-en-1-ylpent-4-enyl)-7-iodo-9,9-dimethylfluorene
PubChem CID89170004
Molecular FormulaC26H29I
Molecular Weight468.42 g/mol
Exact Mass468.13
IUPAC Name2-(1-cyclohex-2-en-1-ylpent-4-enyl)-7-iodo-9,9-dimethylfluorene
SMILESC=CCCC(c1ccc2c(c1)C(C)(C)c1cc(I)ccc1-2)C1C=CCCC1
InChIInChI=1S/C26H29I/c1-4-5-11-21(18-9-7-6-8-10-18)19-12-14-22-23-15-13-20(27)17-25(23)26(2,3)24(22)16-19/h4,7,9,12-18,21H,1,5-6,8,10-11H2,2-3H3
InChIKeyBOGUUQLPSUVIRJ-UHFFFAOYSA-N
XLogP8.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.42
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohex-2-en-1-ylpent-4-enyl)-7-iodo-9,9-dimethylfluorene?
The IUPAC name of 2-(1-cyclohex-2-en-1-ylpent-4-enyl)-7-iodo-9,9-dimethylfluorene (CID 89170004) is 2-(1-cyclohex-2-en-1-ylpent-4-enyl)-7-iodo-9,9-dimethylfluorene.
What is the SMILES notation for 2-(1-cyclohex-2-en-1-ylpent-4-enyl)-7-iodo-9,9-dimethylfluorene?
The canonical SMILES for 2-(1-cyclohex-2-en-1-ylpent-4-enyl)-7-iodo-9,9-dimethylfluorene is C=CCCC(c1ccc2c(c1)C(C)(C)c1cc(I)ccc1-2)C1C=CCCC1.
What is the InChIKey of 2-(1-cyclohex-2-en-1-ylpent-4-enyl)-7-iodo-9,9-dimethylfluorene?
The InChIKey is BOGUUQLPSUVIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29I/c1-4-5-11-21(18-9-7-6-8-10-18)19-12-14-22-23-15-13-20(27)17-25(23)26(2,3)24(22)16-19/h4,7,9,12-18,21H,1,5-6,8,10-11H2,2-3H3.
What are the key properties of 2-(1-cyclohex-2-en-1-ylpent-4-enyl)-7-iodo-9,9-dimethylfluorene?
2-(1-cyclohex-2-en-1-ylpent-4-enyl)-7-iodo-9,9-dimethylfluorene has a molecular weight of 468.42 g/mol, XLogP of 8.00, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohex-2-en-1-ylpent-4-enyl)-7-iodo-9,9-dimethylfluorene is sourced from PubChem (CID 89170004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).