2-cyclohexyl-1-(9,9-diethylfluoren-2-yl)ethanone

C25H30O — CID 142732979

IUPAC2-cyclohexyl-1-(9,9-diethylfluoren-2-yl)ethanone
SMILESCCC1(CC)c2ccccc2-c2ccc(C(=O)CC3CCCCC3)cc21
InChIInChI=1S/C25H30O/c1-3-25(4-2)22-13-9-8-12-20(22)21-15-14-19(17-23(21)25)24(26)16-18-10-6-5-7-11-18/h8-9,12-15,17-18H,3-7,10-11,16H2,1-2H3
InChIKeyKEEYMSVSCGYIID-UHFFFAOYSA-N
MW346.51 g/mol
LogP6.93
Rot. Bonds5

About 2-cyclohexyl-1-(9,9-diethylfluoren-2-yl)ethanone

2-cyclohexyl-1-(9,9-diethylfluoren-2-yl)ethanone (PubChem CID 142732979) has the molecular formula C25H30O and a molecular weight of 346.51 g/mol. Its IUPAC name is 2-cyclohexyl-1-(9,9-diethylfluoren-2-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(9,9-diethylfluoren-2-yl)ethanone
PubChem CID142732979
Molecular FormulaC25H30O
Molecular Weight346.51 g/mol
Exact Mass346.23
IUPAC Name2-cyclohexyl-1-(9,9-diethylfluoren-2-yl)ethanone
SMILESCCC1(CC)c2ccccc2-c2ccc(C(=O)CC3CCCCC3)cc21
InChIInChI=1S/C25H30O/c1-3-25(4-2)22-13-9-8-12-20(22)21-15-14-19(17-23(21)25)24(26)16-18-10-6-5-7-11-18/h8-9,12-15,17-18H,3-7,10-11,16H2,1-2H3
InChIKeyKEEYMSVSCGYIID-UHFFFAOYSA-N
XLogP6.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.51
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(9,9-diethylfluoren-2-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(9,9-diethylfluoren-2-yl)ethanone (CID 142732979) is 2-cyclohexyl-1-(9,9-diethylfluoren-2-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(9,9-diethylfluoren-2-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(9,9-diethylfluoren-2-yl)ethanone is CCC1(CC)c2ccccc2-c2ccc(C(=O)CC3CCCCC3)cc21.
What is the InChIKey of 2-cyclohexyl-1-(9,9-diethylfluoren-2-yl)ethanone?
The InChIKey is KEEYMSVSCGYIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O/c1-3-25(4-2)22-13-9-8-12-20(22)21-15-14-19(17-23(21)25)24(26)16-18-10-6-5-7-11-18/h8-9,12-15,17-18H,3-7,10-11,16H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-(9,9-diethylfluoren-2-yl)ethanone?
2-cyclohexyl-1-(9,9-diethylfluoren-2-yl)ethanone has a molecular weight of 346.51 g/mol, XLogP of 6.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(9,9-diethylfluoren-2-yl)ethanone is sourced from PubChem (CID 142732979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).