9-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene

C21H32 — CID 137147855

IUPAC9-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
SMILESCC(C)(C1=CCC=C1)C1C2CCCCC2C2CCCCC21
InChIInChI=1S/C21H32/c1-21(2,15-9-3-4-10-15)20-18-13-7-5-11-16(18)17-12-6-8-14-19(17)20/h3,9-10,16-20H,4-8,11-14H2,1-2H3
InChIKeyHJDIDIBMKLLLSJ-UHFFFAOYSA-N
MW284.49 g/mol
LogP6.14
Rot. Bonds2

About 9-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene

9-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene (PubChem CID 137147855) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is 9-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene.

Molecular Properties

Compound Name9-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
PubChem CID137147855
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Name9-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
SMILESCC(C)(C1=CCC=C1)C1C2CCCCC2C2CCCCC21
InChIInChI=1S/C21H32/c1-21(2,15-9-3-4-10-15)20-18-13-7-5-11-16(18)17-12-6-8-14-19(17)20/h3,9-10,16-20H,4-8,11-14H2,1-2H3
InChIKeyHJDIDIBMKLLLSJ-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene with MolForge

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Related Compounds

carbanide;cyclohexyl(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)phosphane;titanium(3+)
CID 21052043
2-cyclopenta-1,4-dien-1-ylpropane-2-thiol
CID 174414235
2-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)propan-2-ol
CID 70031928
9-[1-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1-phenylethyl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 123653723
3,3-di(cyclopenta-1,4-dien-1-yl)butan-1-ol
CID 87993482
1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2-ethylsulfanylbenzene
CID 87976759
(3-cyclopenta-1,4-dien-1-yl-3-methyl-2-silyloxybutan-2-yl)-dimethylsilane
CID 173207972
9-[2-(2,4-dimethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 91052446
1-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-3-methylbenzene
CID 142667155
2,2-dimethylpropane;ethane;9-[2-(2,3,4,5-tetramethylcyclopentyl)propan-2-yl]-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 91032407
(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane
CID 101375325
1-tert-butyl-3-(3-cyclopenta-1,4-dien-1-ylpentan-3-yl)-5-methyl-2-prop-2-enoxybenzene
CID 18347314

Frequently Asked Questions

What is the IUPAC name of 9-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The IUPAC name of 9-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene (CID 137147855) is 9-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene.
What is the SMILES notation for 9-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The canonical SMILES for 9-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene is CC(C)(C1=CCC=C1)C1C2CCCCC2C2CCCCC21.
What is the InChIKey of 9-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
The InChIKey is HJDIDIBMKLLLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32/c1-21(2,15-9-3-4-10-15)20-18-13-7-5-11-16(18)17-12-6-8-14-19(17)20/h3,9-10,16-20H,4-8,11-14H2,1-2H3.
What are the key properties of 9-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene?
9-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene has a molecular weight of 284.49 g/mol, XLogP of 6.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene is sourced from PubChem (CID 137147855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).