9-(cyclopenta-1,3-dien-1-ylmethyl)-2-ethyl-9H-fluorene

C21H20 — CID 57060482

IUPAC9-(cyclopenta-1,3-dien-1-ylmethyl)-2-ethyl-9H-fluorene
SMILESCCc1ccc2c(c1)C(CC1=CC=CC1)c1ccccc1-2
InChIInChI=1S/C21H20/c1-2-15-11-12-19-17-9-5-6-10-18(17)21(20(19)13-15)14-16-7-3-4-8-16/h3-7,9-13,21H,2,8,14H2,1H3
InChIKeyOMTKBQXEEIBHMU-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.64
Rot. Bonds3

About 9-(cyclopenta-1,3-dien-1-ylmethyl)-2-ethyl-9H-fluorene

9-(cyclopenta-1,3-dien-1-ylmethyl)-2-ethyl-9H-fluorene (PubChem CID 57060482) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 9-(cyclopenta-1,3-dien-1-ylmethyl)-2-ethyl-9H-fluorene.

Molecular Properties

Compound Name9-(cyclopenta-1,3-dien-1-ylmethyl)-2-ethyl-9H-fluorene
PubChem CID57060482
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name9-(cyclopenta-1,3-dien-1-ylmethyl)-2-ethyl-9H-fluorene
SMILESCCc1ccc2c(c1)C(CC1=CC=CC1)c1ccccc1-2
InChIInChI=1S/C21H20/c1-2-15-11-12-19-17-9-5-6-10-18(17)21(20(19)13-15)14-16-7-3-4-8-16/h3-7,9-13,21H,2,8,14H2,1H3
InChIKeyOMTKBQXEEIBHMU-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-(cyclopenta-1,3-dien-1-ylmethyl)-9H-fluorene;zirconium(2+);dichloride
CID 23443914
2-(2,7-diethyl-9H-fluoren-9-yl)-4,6-bis(9H-fluoren-9-yl)-1,3,5-triazine
CID 147464174
2-cyclopenta-1,3-dien-1-yl-9-propyl-9H-fluorene
CID 90787993
(2-ethyl-9H-fluoren-9-yl)methyl (1Z)-N-ethylethanehydrazonate
CID 91604509
1-(cyclopenta-1,3-dien-1-ylmethyl)-1H-indene
CID 21188895
1-ethylcyclopenta-1,3-diene
CID 528166
9-benzyl-2-fluoro-9H-fluorene
CID 178120274
2-(2-ethyl-7-hydroxy-9H-fluoren-9-yl)acetic acid
CID 82578973
lithium 9-ethyl-9H-fluorene
CID 23225742
ethane;methane;propane;(1E,18Z)-11-propyltetracyclo[12.6.0.02,7.08,13]icosa-1(20),2,4,6,8(13),9,11,18-octaen-15-yne
CID 145280434
(1S,8R)-4-ethyltricyclo[6.2.1.02,7]undeca-2(7),3,5-triene
CID 10797293
2-methyl-9-[2-(2-methyl-9H-fluoren-9-yl)ethyl]-9H-fluorene
CID 15494405

Frequently Asked Questions

What is the IUPAC name of 9-(cyclopenta-1,3-dien-1-ylmethyl)-2-ethyl-9H-fluorene?
The IUPAC name of 9-(cyclopenta-1,3-dien-1-ylmethyl)-2-ethyl-9H-fluorene (CID 57060482) is 9-(cyclopenta-1,3-dien-1-ylmethyl)-2-ethyl-9H-fluorene.
What is the SMILES notation for 9-(cyclopenta-1,3-dien-1-ylmethyl)-2-ethyl-9H-fluorene?
The canonical SMILES for 9-(cyclopenta-1,3-dien-1-ylmethyl)-2-ethyl-9H-fluorene is CCc1ccc2c(c1)C(CC1=CC=CC1)c1ccccc1-2.
What is the InChIKey of 9-(cyclopenta-1,3-dien-1-ylmethyl)-2-ethyl-9H-fluorene?
The InChIKey is OMTKBQXEEIBHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-2-15-11-12-19-17-9-5-6-10-18(17)21(20(19)13-15)14-16-7-3-4-8-16/h3-7,9-13,21H,2,8,14H2,1H3.
What are the key properties of 9-(cyclopenta-1,3-dien-1-ylmethyl)-2-ethyl-9H-fluorene?
9-(cyclopenta-1,3-dien-1-ylmethyl)-2-ethyl-9H-fluorene has a molecular weight of 272.39 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopenta-1,3-dien-1-ylmethyl)-2-ethyl-9H-fluorene is sourced from PubChem (CID 57060482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).