1-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene

C26H28 — CID 21263272

IUPAC1-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene
SMILESCC(C)=c1ccc2c(c1C1=CC(C(C)(C)C)=CC1C)C=c1ccccc1=2
InChIInChI=1S/C26H28/c1-16(2)20-11-12-22-21-10-8-7-9-18(21)14-24(22)25(20)23-15-19(13-17(23)3)26(4,5)6/h7-15,17H,1-6H3
InChIKeyQOSKQFORKNBJJR-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.31
Rot. Bonds1

About 1-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene

1-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene (PubChem CID 21263272) has the molecular formula C26H28 and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene.

Molecular Properties

Compound Name1-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene
PubChem CID21263272
Molecular FormulaC26H28
Molecular Weight340.51 g/mol
Exact Mass340.22
IUPAC Name1-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene
SMILESCC(C)=c1ccc2c(c1C1=CC(C(C)(C)C)=CC1C)C=c1ccccc1=2
InChIInChI=1S/C26H28/c1-16(2)20-11-12-22-21-10-8-7-9-18(21)14-24(22)25(20)23-15-19(13-17(23)3)26(4,5)6/h7-15,17H,1-6H3
InChIKeyQOSKQFORKNBJJR-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 57179728
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CID 129647898
1,3-Cyclopentadiene, 5,5-dimethyl-1-propyl-
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1-[(1E,3E)-3,7-dimethylnona-1,3-dienyl]-2,6,6-trimethylcyclohexa-1,3-diene
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(6E)-6-(4,4-dimethylcyclohex-2-en-1-ylidene)-3,3-dimethylcyclohexene
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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene?
The IUPAC name of 1-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene (CID 21263272) is 1-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene.
What is the SMILES notation for 1-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene?
The canonical SMILES for 1-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene is CC(C)=c1ccc2c(c1C1=CC(C(C)(C)C)=CC1C)C=c1ccccc1=2.
What is the InChIKey of 1-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene?
The InChIKey is QOSKQFORKNBJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28/c1-16(2)20-11-12-22-21-10-8-7-9-18(21)14-24(22)25(20)23-15-19(13-17(23)3)26(4,5)6/h7-15,17H,1-6H3.
What are the key properties of 1-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene?
1-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene has a molecular weight of 340.51 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-2-propan-2-ylidenefluorene is sourced from PubChem (CID 21263272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).