ethane;9-ethyl-2,7-dimethyl-9H-fluorene;methane

C26H46 — CID 145053963

IUPACethane;9-ethyl-2,7-dimethyl-9H-fluorene;methane
SMILESC.CC.CC.CC.CC.CCC1c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C17H18.4C2H6.CH4/c1-4-13-16-9-11(2)5-7-14(16)15-8-6-12(3)10-17(13)15;4*1-2;/h5-10,13H,4H2,1-3H3;4*1-2H3;1H4
InChIKeyJAVDDWVZLAZMGE-UHFFFAOYSA-N
MW358.65 g/mol
LogP9.57
Rot. Bonds1

About ethane;9-ethyl-2,7-dimethyl-9H-fluorene;methane

ethane;9-ethyl-2,7-dimethyl-9H-fluorene;methane (PubChem CID 145053963) has the molecular formula C26H46 and a molecular weight of 358.65 g/mol. Its IUPAC name is ethane;9-ethyl-2,7-dimethyl-9H-fluorene;methane.

Molecular Properties

Compound Nameethane;9-ethyl-2,7-dimethyl-9H-fluorene;methane
PubChem CID145053963
Molecular FormulaC26H46
Molecular Weight358.65 g/mol
Exact Mass358.36
IUPAC Nameethane;9-ethyl-2,7-dimethyl-9H-fluorene;methane
SMILESC.CC.CC.CC.CC.CCC1c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C17H18.4C2H6.CH4/c1-4-13-16-9-11(2)5-7-14(16)15-8-6-12(3)10-17(13)15;4*1-2;/h5-10,13H,4H2,1-3H3;4*1-2H3;1H4
InChIKeyJAVDDWVZLAZMGE-UHFFFAOYSA-N
XLogP9.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.65
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;9-ethyl-2,7-dimethyl-9H-fluorene;methane?
The IUPAC name of ethane;9-ethyl-2,7-dimethyl-9H-fluorene;methane (CID 145053963) is ethane;9-ethyl-2,7-dimethyl-9H-fluorene;methane.
What is the SMILES notation for ethane;9-ethyl-2,7-dimethyl-9H-fluorene;methane?
The canonical SMILES for ethane;9-ethyl-2,7-dimethyl-9H-fluorene;methane is C.CC.CC.CC.CC.CCC1c2cc(C)ccc2-c2ccc(C)cc21.
What is the InChIKey of ethane;9-ethyl-2,7-dimethyl-9H-fluorene;methane?
The InChIKey is JAVDDWVZLAZMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18.4C2H6.CH4/c1-4-13-16-9-11(2)5-7-14(16)15-8-6-12(3)10-17(13)15;4*1-2;/h5-10,13H,4H2,1-3H3;4*1-2H3;1H4.
What are the key properties of ethane;9-ethyl-2,7-dimethyl-9H-fluorene;methane?
ethane;9-ethyl-2,7-dimethyl-9H-fluorene;methane has a molecular weight of 358.65 g/mol, XLogP of 9.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-ethyl-2,7-dimethyl-9H-fluorene;methane is sourced from PubChem (CID 145053963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).