1,3-diethyl-3,5-dimethyl-7-(2-methylpropyl)-1,2,3a,4,5,6,7,7a-octahydroindene

C19H36 — CID 123458353

IUPAC1,3-diethyl-3,5-dimethyl-7-(2-methylpropyl)-1,2,3a,4,5,6,7,7a-octahydroindene
SMILESCCC1CC(C)(CC)C2CC(C)CC(CC(C)C)C12
InChIInChI=1S/C19H36/c1-7-15-12-19(6,8-2)17-11-14(5)10-16(18(15)17)9-13(3)4/h13-18H,7-12H2,1-6H3
InChIKeyDFIYJSOQOXZSJB-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.16
Rot. Bonds4

About 1,3-diethyl-3,5-dimethyl-7-(2-methylpropyl)-1,2,3a,4,5,6,7,7a-octahydroindene

1,3-diethyl-3,5-dimethyl-7-(2-methylpropyl)-1,2,3a,4,5,6,7,7a-octahydroindene (PubChem CID 123458353) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 1,3-diethyl-3,5-dimethyl-7-(2-methylpropyl)-1,2,3a,4,5,6,7,7a-octahydroindene.

Molecular Properties

Compound Name1,3-diethyl-3,5-dimethyl-7-(2-methylpropyl)-1,2,3a,4,5,6,7,7a-octahydroindene
PubChem CID123458353
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name1,3-diethyl-3,5-dimethyl-7-(2-methylpropyl)-1,2,3a,4,5,6,7,7a-octahydroindene
SMILESCCC1CC(C)(CC)C2CC(C)CC(CC(C)C)C12
InChIInChI=1S/C19H36/c1-7-15-12-19(6,8-2)17-11-14(5)10-16(18(15)17)9-13(3)4/h13-18H,7-12H2,1-6H3
InChIKeyDFIYJSOQOXZSJB-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-3,5-dimethyl-7-(2-methylpropyl)-1,2,3a,4,5,6,7,7a-octahydroindene?
The IUPAC name of 1,3-diethyl-3,5-dimethyl-7-(2-methylpropyl)-1,2,3a,4,5,6,7,7a-octahydroindene (CID 123458353) is 1,3-diethyl-3,5-dimethyl-7-(2-methylpropyl)-1,2,3a,4,5,6,7,7a-octahydroindene.
What is the SMILES notation for 1,3-diethyl-3,5-dimethyl-7-(2-methylpropyl)-1,2,3a,4,5,6,7,7a-octahydroindene?
The canonical SMILES for 1,3-diethyl-3,5-dimethyl-7-(2-methylpropyl)-1,2,3a,4,5,6,7,7a-octahydroindene is CCC1CC(C)(CC)C2CC(C)CC(CC(C)C)C12.
What is the InChIKey of 1,3-diethyl-3,5-dimethyl-7-(2-methylpropyl)-1,2,3a,4,5,6,7,7a-octahydroindene?
The InChIKey is DFIYJSOQOXZSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-7-15-12-19(6,8-2)17-11-14(5)10-16(18(15)17)9-13(3)4/h13-18H,7-12H2,1-6H3.
What are the key properties of 1,3-diethyl-3,5-dimethyl-7-(2-methylpropyl)-1,2,3a,4,5,6,7,7a-octahydroindene?
1,3-diethyl-3,5-dimethyl-7-(2-methylpropyl)-1,2,3a,4,5,6,7,7a-octahydroindene has a molecular weight of 264.50 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-3,5-dimethyl-7-(2-methylpropyl)-1,2,3a,4,5,6,7,7a-octahydroindene is sourced from PubChem (CID 123458353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).