9-ethyl-9-[(3E)-penta-1,3-dien-3-yl]-3,4-dihydrofluorene

C20H22 — CID 142424728

IUPAC9-ethyl-9-[(3E)-penta-1,3-dien-3-yl]-3,4-dihydrofluorene
SMILESC=C/C(=C\C)C1(CC)C2=C(CCC=C2)c2ccccc21
InChIInChI=1S/C20H22/c1-4-15(5-2)20(6-3)18-13-9-7-11-16(18)17-12-8-10-14-19(17)20/h4-5,7,9-11,13-14H,1,6,8,12H2,2-3H3/b15-5+
InChIKeyGYGRCVXYZSCGBP-PJQLUOCWSA-N
MW262.40 g/mol
LogP5.58
Rot. Bonds3

About 9-ethyl-9-[(3E)-penta-1,3-dien-3-yl]-3,4-dihydrofluorene

9-ethyl-9-[(3E)-penta-1,3-dien-3-yl]-3,4-dihydrofluorene (PubChem CID 142424728) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 9-ethyl-9-[(3E)-penta-1,3-dien-3-yl]-3,4-dihydrofluorene.

Molecular Properties

Compound Name9-ethyl-9-[(3E)-penta-1,3-dien-3-yl]-3,4-dihydrofluorene
PubChem CID142424728
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name9-ethyl-9-[(3E)-penta-1,3-dien-3-yl]-3,4-dihydrofluorene
SMILESC=C/C(=C\C)C1(CC)C2=C(CCC=C2)c2ccccc21
InChIInChI=1S/C20H22/c1-4-15(5-2)20(6-3)18-13-9-7-11-16(18)17-12-8-10-14-19(17)20/h4-5,7,9-11,13-14H,1,6,8,12H2,2-3H3/b15-5+
InChIKeyGYGRCVXYZSCGBP-PJQLUOCWSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[7'-(9,9'-spirobi[fluorene]-2-carbonyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 88890935
spiro[3,4-dihydrofluorene-9,5'-indeno[1,2-b]pyridine]
CID 67968403
N-phenyl-N-[4-[4-(N-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylanilino)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 143240280
N'-benzyl-N-methylidene-2'-prop-1-en-2-ylspiro[5,6-dihydrofluorene-9,9'-fluorene]-2-carboximidamide
CID 166990759
2-N',7-N'-bis(3,4-diethylphenyl)-2-N',7-N'-bis(3,4-dimethylphenyl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-2',7'-diamine
CID 143938080
7-[phenyl(spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)phosphoryl]spiro[3,4-dihydrofluorene-9,9'-fluorene]
CID 129311396
2-(2-hydroxycyclohexa-1,3-dien-1-yl)phenol
CID 142841188
4-[9-(4-hydroxy-3-prop-2-enylcyclohexa-2,4-dien-1-yl)-3,4-dihydrofluoren-9-yl]-2-prop-2-enylphenol
CID 90350735
N,N-bis(9,9-dimethylfluoren-2-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 162362975
7,9,9-trimethyl-3,4-dihydrofluorene
CID 143620437
2'-(4-methylphenyl)spiro[1,2,5,6-tetrahydrofluorene-9,9'-fluorene]
CID 142508879
9,9-dimethyl-10-naphthalen-1-yl-2-spiro[5,6-dihydrofluorene-9,9'-fluorene]-2-ylacridine
CID 90087290

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-9-[(3E)-penta-1,3-dien-3-yl]-3,4-dihydrofluorene?
The IUPAC name of 9-ethyl-9-[(3E)-penta-1,3-dien-3-yl]-3,4-dihydrofluorene (CID 142424728) is 9-ethyl-9-[(3E)-penta-1,3-dien-3-yl]-3,4-dihydrofluorene.
What is the SMILES notation for 9-ethyl-9-[(3E)-penta-1,3-dien-3-yl]-3,4-dihydrofluorene?
The canonical SMILES for 9-ethyl-9-[(3E)-penta-1,3-dien-3-yl]-3,4-dihydrofluorene is C=C/C(=C\C)C1(CC)C2=C(CCC=C2)c2ccccc21.
What is the InChIKey of 9-ethyl-9-[(3E)-penta-1,3-dien-3-yl]-3,4-dihydrofluorene?
The InChIKey is GYGRCVXYZSCGBP-PJQLUOCWSA-N. The full InChI is InChI=1S/C20H22/c1-4-15(5-2)20(6-3)18-13-9-7-11-16(18)17-12-8-10-14-19(17)20/h4-5,7,9-11,13-14H,1,6,8,12H2,2-3H3/b15-5+.
What are the key properties of 9-ethyl-9-[(3E)-penta-1,3-dien-3-yl]-3,4-dihydrofluorene?
9-ethyl-9-[(3E)-penta-1,3-dien-3-yl]-3,4-dihydrofluorene has a molecular weight of 262.40 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-9-[(3E)-penta-1,3-dien-3-yl]-3,4-dihydrofluorene is sourced from PubChem (CID 142424728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).