ethane;4,9,9-trimethylfluorene

C20H28 — CID 123917181

IUPACethane;4,9,9-trimethylfluorene
SMILESCC.CC.Cc1cccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C16H16.2C2H6/c1-11-7-6-10-14-15(11)12-8-4-5-9-13(12)16(14,2)3;2*1-2/h4-10H,1-3H3;2*1-2H3
InChIKeyZRTXFXFCUWWYMU-UHFFFAOYSA-N
MW268.44 g/mol
LogP6.35
Rot. Bonds

About ethane;4,9,9-trimethylfluorene

ethane;4,9,9-trimethylfluorene (PubChem CID 123917181) has the molecular formula C20H28 and a molecular weight of 268.44 g/mol. Its IUPAC name is ethane;4,9,9-trimethylfluorene.

Molecular Properties

Compound Nameethane;4,9,9-trimethylfluorene
PubChem CID123917181
Molecular FormulaC20H28
Molecular Weight268.44 g/mol
Exact Mass268.22
IUPAC Nameethane;4,9,9-trimethylfluorene
SMILESCC.CC.Cc1cccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C16H16.2C2H6/c1-11-7-6-10-14-15(11)12-8-4-5-9-13(12)16(14,2)3;2*1-2/h4-10H,1-3H3;2*1-2H3
InChIKeyZRTXFXFCUWWYMU-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504465
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
4-[4-(9,9-dimethylfluoren-4-yl)-2,5-dimethylphenyl]-9,9-dimethylfluorene
CID 58986977
9,9-dimethyl-4-phenylfluorene;ethane
CID 144938731
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
2-fluoro-5,9,9-trimethylfluorene
CID 126538436
3,9,9-trimethyl-4-naphthalen-1-ylfluorene
CID 156896796
9-ethyl-4,9-dimethylfluorene
CID 145360802
carbanide;bis(9,9-dimethylfluoren-4-ol);titanium(2+)
CID 59317562
2,9,9-trimethyl-1-(2-methylphenyl)fluorene
CID 145007121
4-bromo-4'-methyl-9,9'-spirobi[fluorene]
CID 123165749
toluene;bis(1,9,9-trimethylfluorene);bis(2,9,9-trimethylfluorene);bis(3,9,9-trimethylfluorene);bis(4,9,9-trimethylfluorene)
CID 160789505

Frequently Asked Questions

What is the IUPAC name of ethane;4,9,9-trimethylfluorene?
The IUPAC name of ethane;4,9,9-trimethylfluorene (CID 123917181) is ethane;4,9,9-trimethylfluorene.
What is the SMILES notation for ethane;4,9,9-trimethylfluorene?
The canonical SMILES for ethane;4,9,9-trimethylfluorene is CC.CC.Cc1cccc2c1-c1ccccc1C2(C)C.
What is the InChIKey of ethane;4,9,9-trimethylfluorene?
The InChIKey is ZRTXFXFCUWWYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16.2C2H6/c1-11-7-6-10-14-15(11)12-8-4-5-9-13(12)16(14,2)3;2*1-2/h4-10H,1-3H3;2*1-2H3.
What are the key properties of ethane;4,9,9-trimethylfluorene?
ethane;4,9,9-trimethylfluorene has a molecular weight of 268.44 g/mol, XLogP of 6.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,9,9-trimethylfluorene is sourced from PubChem (CID 123917181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).