4-butan-2-yl-9,9-dimethylfluorene

C19H22 — CID 145292026

IUPAC4-butan-2-yl-9,9-dimethylfluorene
SMILESCCC(C)c1cccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C19H22/c1-5-13(2)14-10-8-12-17-18(14)15-9-6-7-11-16(15)19(17,3)4/h6-13H,5H2,1-4H3
InChIKeyNQMOAXFMWSPXGY-UHFFFAOYSA-N
MW250.38 g/mol
LogP5.51
Rot. Bonds2

About 4-butan-2-yl-9,9-dimethylfluorene

4-butan-2-yl-9,9-dimethylfluorene (PubChem CID 145292026) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 4-butan-2-yl-9,9-dimethylfluorene.

Molecular Properties

Compound Name4-butan-2-yl-9,9-dimethylfluorene
PubChem CID145292026
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name4-butan-2-yl-9,9-dimethylfluorene
SMILESCCC(C)c1cccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C19H22/c1-5-13(2)14-10-8-12-17-18(14)15-9-6-7-11-16(15)19(17,3)4/h6-13H,5H2,1-4H3
InChIKeyNQMOAXFMWSPXGY-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
6-(2-butan-2-ylphenyl)-5,9,14,14-tetramethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 145449652
ethane;4,9,9-trimethylfluorene
CID 123917181
9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731
carbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+)
CID 59317562
4-[2-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58986993
4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene
CID 58986977
9,9-dimethylfluorene-4-carbonitrile
CID 67375715
9,9-dimethylfluorene-4-carbaldehyde
CID 123972608
7,7-dimethylbenzo[c]fluorene;ethane
CID 90712910
7,7-dimethylbenzo[c]fluorene;hydroiodide
CID 144938625
4'-[(9,9-dimethylfluoren-2-yl)-(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene]
CID 140941835

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-9,9-dimethylfluorene?
The IUPAC name of 4-butan-2-yl-9,9-dimethylfluorene (CID 145292026) is 4-butan-2-yl-9,9-dimethylfluorene.
What is the SMILES notation for 4-butan-2-yl-9,9-dimethylfluorene?
The canonical SMILES for 4-butan-2-yl-9,9-dimethylfluorene is CCC(C)c1cccc2c1-c1ccccc1C2(C)C.
What is the InChIKey of 4-butan-2-yl-9,9-dimethylfluorene?
The InChIKey is NQMOAXFMWSPXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22/c1-5-13(2)14-10-8-12-17-18(14)15-9-6-7-11-16(15)19(17,3)4/h6-13H,5H2,1-4H3.
What are the key properties of 4-butan-2-yl-9,9-dimethylfluorene?
4-butan-2-yl-9,9-dimethylfluorene has a molecular weight of 250.38 g/mol, XLogP of 5.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-9,9-dimethylfluorene is sourced from PubChem (CID 145292026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).