2,6-diethyl-4,8-dimethyl-1,6-dihydro-s-indacene

C18H22 — CID 139041506

IUPAC2,6-diethyl-4,8-dimethyl-1,6-dihydro-s-indacene
SMILESCCC1=Cc2c(c(C)c3c(c2C)=CC(CC)C=3)C1
InChIInChI=1S/C18H22/c1-5-13-7-15-11(3)17-9-14(6-2)10-18(17)12(4)16(15)8-13/h7-9,13H,5-6,10H2,1-4H3
InChIKeyLRIJMYZFNYIKGK-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.25
Rot. Bonds2

About 2,6-diethyl-4,8-dimethyl-1,6-dihydro-s-indacene

2,6-diethyl-4,8-dimethyl-1,6-dihydro-s-indacene (PubChem CID 139041506) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2,6-diethyl-4,8-dimethyl-1,6-dihydro-s-indacene.

Molecular Properties

Compound Name2,6-diethyl-4,8-dimethyl-1,6-dihydro-s-indacene
PubChem CID139041506
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name2,6-diethyl-4,8-dimethyl-1,6-dihydro-s-indacene
SMILESCCC1=Cc2c(c(C)c3c(c2C)=CC(CC)C=3)C1
InChIInChI=1S/C18H22/c1-5-13-7-15-11(3)17-9-14(6-2)10-18(17)12(4)16(15)8-13/h7-9,13H,5-6,10H2,1-4H3
InChIKeyLRIJMYZFNYIKGK-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-4,8-dimethyl-1,6-dihydro-s-indacene?
The IUPAC name of 2,6-diethyl-4,8-dimethyl-1,6-dihydro-s-indacene (CID 139041506) is 2,6-diethyl-4,8-dimethyl-1,6-dihydro-s-indacene.
What is the SMILES notation for 2,6-diethyl-4,8-dimethyl-1,6-dihydro-s-indacene?
The canonical SMILES for 2,6-diethyl-4,8-dimethyl-1,6-dihydro-s-indacene is CCC1=Cc2c(c(C)c3c(c2C)=CC(CC)C=3)C1.
What is the InChIKey of 2,6-diethyl-4,8-dimethyl-1,6-dihydro-s-indacene?
The InChIKey is LRIJMYZFNYIKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-5-13-7-15-11(3)17-9-14(6-2)10-18(17)12(4)16(15)8-13/h7-9,13H,5-6,10H2,1-4H3.
What are the key properties of 2,6-diethyl-4,8-dimethyl-1,6-dihydro-s-indacene?
2,6-diethyl-4,8-dimethyl-1,6-dihydro-s-indacene has a molecular weight of 238.37 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-4,8-dimethyl-1,6-dihydro-s-indacene is sourced from PubChem (CID 139041506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).