1-ethyl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene

C12H22 — CID 565493

IUPAC1-ethyl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
SMILESCCC1CCC2CCCCC12C
InChIInChI=1S/C12H22/c1-3-10-7-8-11-6-4-5-9-12(10,11)2/h10-11H,3-9H2,1-2H3
InChIKeyACLGJZFMJNVCMH-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.00
Rot. Bonds1

About 1-ethyl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene

1-ethyl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene (PubChem CID 565493) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-ethyl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene.

Molecular Properties

Compound Name1-ethyl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
PubChem CID565493
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-ethyl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
SMILESCCC1CCC2CCCCC12C
InChIInChI=1S/C12H22/c1-3-10-7-8-11-6-4-5-9-12(10,11)2/h10-11H,3-9H2,1-2H3
InChIKeyACLGJZFMJNVCMH-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene?
The IUPAC name of 1-ethyl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene (CID 565493) is 1-ethyl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene.
What is the SMILES notation for 1-ethyl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene?
The canonical SMILES for 1-ethyl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene is CCC1CCC2CCCCC12C.
What is the InChIKey of 1-ethyl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene?
The InChIKey is ACLGJZFMJNVCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-3-10-7-8-11-6-4-5-9-12(10,11)2/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-ethyl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene?
1-ethyl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene has a molecular weight of 166.31 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene is sourced from PubChem (CID 565493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).