1-[(Z)-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)methyl]-8-iodonaphthalene

C20H19I — CID 11269169

IUPAC1-[(Z)-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)methyl]-8-iodonaphthalene
SMILESCC(C)(C)C1=C/C(=C\c2cccc3cccc(I)c23)C=C1
InChIInChI=1S/C20H19I/c1-20(2,3)17-11-10-14(13-17)12-16-8-4-6-15-7-5-9-18(21)19(15)16/h4-13H,1-3H3/b14-12-
InChIKeyYOVLFLVWWBFTMC-OWBHPGMISA-N
MW386.28 g/mol
LogP6.37
Rot. Bonds1

About 1-[(Z)-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)methyl]-8-iodonaphthalene

1-[(Z)-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)methyl]-8-iodonaphthalene (PubChem CID 11269169) has the molecular formula C20H19I and a molecular weight of 386.28 g/mol. Its IUPAC name is 1-[(Z)-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)methyl]-8-iodonaphthalene.

Molecular Properties

Compound Name1-[(Z)-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)methyl]-8-iodonaphthalene
PubChem CID11269169
Molecular FormulaC20H19I
Molecular Weight386.28 g/mol
Exact Mass386.05
IUPAC Name1-[(Z)-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)methyl]-8-iodonaphthalene
SMILESCC(C)(C)C1=C/C(=C\c2cccc3cccc(I)c23)C=C1
InChIInChI=1S/C20H19I/c1-20(2,3)17-11-10-14(13-17)12-16-8-4-6-15-7-5-9-18(21)19(15)16/h4-13H,1-3H3/b14-12-
InChIKeyYOVLFLVWWBFTMC-OWBHPGMISA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(8-iodonaphthalen-1-yl)-2-methylbut-3-yn-2-ol
CID 10735570
1-tert-butyl-8-(trifluoromethyl)naphthalene
CID 155794359
tert-butyl-[2-(2-fluoro-8-iodonaphthalen-1-yl)ethoxy]-dimethylsilane
CID 171613311
2,6-ditert-butyl-4-[[2-(trifluoromethyl)phenyl]methylidene]cyclohexa-2,5-diene-1-carbaldehyde
CID 174949973
2-(8-iodonaphthalen-1-yl)-N-methylaniline
CID 154707911
1-tert-butyl-2-iodobenzene
CID 637957
1-(4-tert-butylphenyl)sulfonyl-4-iodoindole-3-carbaldehyde
CID 170556045
2-bromo-1-chloro-8-iodonaphthalene
CID 164839272
1-iodo-2-[(E)-2-(2-iodophenyl)ethenyl]benzene
CID 10812610
2,3-ditert-butylnaphthalene
CID 14173307
acenaphthylene;ethane
CID 54237459
1,2,8-tris(ethenyl)naphthalene
CID 23355506

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)methyl]-8-iodonaphthalene?
The IUPAC name of 1-[(Z)-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)methyl]-8-iodonaphthalene (CID 11269169) is 1-[(Z)-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)methyl]-8-iodonaphthalene.
What is the SMILES notation for 1-[(Z)-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)methyl]-8-iodonaphthalene?
The canonical SMILES for 1-[(Z)-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)methyl]-8-iodonaphthalene is CC(C)(C)C1=C/C(=C\c2cccc3cccc(I)c23)C=C1.
What is the InChIKey of 1-[(Z)-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)methyl]-8-iodonaphthalene?
The InChIKey is YOVLFLVWWBFTMC-OWBHPGMISA-N. The full InChI is InChI=1S/C20H19I/c1-20(2,3)17-11-10-14(13-17)12-16-8-4-6-15-7-5-9-18(21)19(15)16/h4-13H,1-3H3/b14-12-.
What are the key properties of 1-[(Z)-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)methyl]-8-iodonaphthalene?
1-[(Z)-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)methyl]-8-iodonaphthalene has a molecular weight of 386.28 g/mol, XLogP of 6.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)methyl]-8-iodonaphthalene is sourced from PubChem (CID 11269169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).