6-ethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene

C12H18 — CID 91032346

IUPAC6-ethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene
SMILESCCC1CCC2C=C(C)C=C2C1
InChIInChI=1S/C12H18/c1-3-10-4-5-11-6-9(2)7-12(11)8-10/h6-7,10-11H,3-5,8H2,1-2H3
InChIKeyXGOZMMIHRNPGEP-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.70
Rot. Bonds1

About 6-ethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene

6-ethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene (PubChem CID 91032346) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 6-ethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene.

Molecular Properties

Compound Name6-ethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene
PubChem CID91032346
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name6-ethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene
SMILESCCC1CCC2C=C(C)C=C2C1
InChIInChI=1S/C12H18/c1-3-10-4-5-11-6-9(2)7-12(11)8-10/h6-7,10-11H,3-5,8H2,1-2H3
InChIKeyXGOZMMIHRNPGEP-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene?
The IUPAC name of 6-ethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene (CID 91032346) is 6-ethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene.
What is the SMILES notation for 6-ethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene?
The canonical SMILES for 6-ethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene is CCC1CCC2C=C(C)C=C2C1.
What is the InChIKey of 6-ethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene?
The InChIKey is XGOZMMIHRNPGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-3-10-4-5-11-6-9(2)7-12(11)8-10/h6-7,10-11H,3-5,8H2,1-2H3.
What are the key properties of 6-ethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene?
6-ethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene has a molecular weight of 162.28 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene is sourced from PubChem (CID 91032346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).