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

C14H22 — CID 91208740

IUPAC5,6-diethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene
SMILESCCC1CC2=CC(C)=CC2CC1CC
InChIInChI=1S/C14H22/c1-4-11-8-13-6-10(3)7-14(13)9-12(11)5-2/h6-7,11-13H,4-5,8-9H2,1-3H3
InChIKeyYSUULCCYHYXSRG-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.34
Rot. Bonds2

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

5,6-diethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene (PubChem CID 91208740) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 5,6-diethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene.

Molecular Properties

Compound Name5,6-diethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene
PubChem CID91208740
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name5,6-diethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene
SMILESCCC1CC2=CC(C)=CC2CC1CC
InChIInChI=1S/C14H22/c1-4-11-8-13-6-10(3)7-14(13)9-12(11)5-2/h6-7,11-13H,4-5,8-9H2,1-3H3
InChIKeyYSUULCCYHYXSRG-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene?
The IUPAC name of 5,6-diethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene (CID 91208740) is 5,6-diethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene.
What is the SMILES notation for 5,6-diethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene?
The canonical SMILES for 5,6-diethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene is CCC1CC2=CC(C)=CC2CC1CC.
What is the InChIKey of 5,6-diethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene?
The InChIKey is YSUULCCYHYXSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-4-11-8-13-6-10(3)7-14(13)9-12(11)5-2/h6-7,11-13H,4-5,8-9H2,1-3H3.
What are the key properties of 5,6-diethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene?
5,6-diethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene has a molecular weight of 190.33 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene is sourced from PubChem (CID 91208740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).