9-ethyl-9-propan-2-ylfluorene

C18H20 — CID 142424661

IUPAC9-ethyl-9-propan-2-ylfluorene
SMILESCCC1(C(C)C)c2ccccc2-c2ccccc21
InChIInChI=1S/C18H20/c1-4-18(13(2)3)16-11-7-5-9-14(16)15-10-6-8-12-17(15)18/h5-13H,4H2,1-3H3
InChIKeyKBDYVWKCAVOBNM-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.02
Rot. Bonds2

About 9-ethyl-9-propan-2-ylfluorene

9-ethyl-9-propan-2-ylfluorene (PubChem CID 142424661) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 9-ethyl-9-propan-2-ylfluorene.

Molecular Properties

Compound Name9-ethyl-9-propan-2-ylfluorene
PubChem CID142424661
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name9-ethyl-9-propan-2-ylfluorene
SMILESCCC1(C(C)C)c2ccccc2-c2ccccc21
InChIInChI=1S/C18H20/c1-4-18(13(2)3)16-11-7-5-9-14(16)15-10-6-8-12-17(15)18/h5-13H,4H2,1-3H3
InChIKeyKBDYVWKCAVOBNM-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-ethyl-9-propan-2-ylfluorene?
The IUPAC name of 9-ethyl-9-propan-2-ylfluorene (CID 142424661) is 9-ethyl-9-propan-2-ylfluorene.
What is the SMILES notation for 9-ethyl-9-propan-2-ylfluorene?
The canonical SMILES for 9-ethyl-9-propan-2-ylfluorene is CCC1(C(C)C)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-ethyl-9-propan-2-ylfluorene?
The InChIKey is KBDYVWKCAVOBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-4-18(13(2)3)16-11-7-5-9-14(16)15-10-6-8-12-17(15)18/h5-13H,4H2,1-3H3.
What are the key properties of 9-ethyl-9-propan-2-ylfluorene?
9-ethyl-9-propan-2-ylfluorene has a molecular weight of 236.36 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-9-propan-2-ylfluorene is sourced from PubChem (CID 142424661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).