1,3-dimethyl-1H-indene;ethane

C13H18 — CID 90859449

IUPAC1,3-dimethyl-1H-indene;ethane
SMILESCC.CC1=CC(C)c2ccccc21
InChIInChI=1S/C11H12.C2H6/c1-8-7-9(2)11-6-4-3-5-10(8)11;1-2/h3-8H,1-2H3;1-2H3
InChIKeyGTTQASAHMSOMIA-UHFFFAOYSA-N
MW174.29 g/mol
LogP4.23
Rot. Bonds

About 1,3-dimethyl-1H-indene;ethane

1,3-dimethyl-1H-indene;ethane (PubChem CID 90859449) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1,3-dimethyl-1H-indene;ethane.

Molecular Properties

Compound Name1,3-dimethyl-1H-indene;ethane
PubChem CID90859449
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1,3-dimethyl-1H-indene;ethane
SMILESCC.CC1=CC(C)c2ccccc21
InChIInChI=1S/C11H12.C2H6/c1-8-7-9(2)11-6-4-3-5-10(8)11;1-2/h3-8H,1-2H3;1-2H3
InChIKeyGTTQASAHMSOMIA-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1H-indene;ethane?
The IUPAC name of 1,3-dimethyl-1H-indene;ethane (CID 90859449) is 1,3-dimethyl-1H-indene;ethane.
What is the SMILES notation for 1,3-dimethyl-1H-indene;ethane?
The canonical SMILES for 1,3-dimethyl-1H-indene;ethane is CC.CC1=CC(C)c2ccccc21.
What is the InChIKey of 1,3-dimethyl-1H-indene;ethane?
The InChIKey is GTTQASAHMSOMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12.C2H6/c1-8-7-9(2)11-6-4-3-5-10(8)11;1-2/h3-8H,1-2H3;1-2H3.
What are the key properties of 1,3-dimethyl-1H-indene;ethane?
1,3-dimethyl-1H-indene;ethane has a molecular weight of 174.29 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1H-indene;ethane is sourced from PubChem (CID 90859449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).