1,2,3,4,7-pentamethyl-1H-indene

C14H18 — CID 54084188

IUPAC1,2,3,4,7-pentamethyl-1H-indene
SMILESCC1=C(C)C(C)c2c(C)ccc(C)c21
InChIInChI=1S/C14H18/c1-8-6-7-9(2)14-12(5)10(3)11(4)13(8)14/h6-7,11H,1-5H3
InChIKeyBVFGXGZEHAUNJV-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.21
Rot. Bonds

About 1,2,3,4,7-pentamethyl-1H-indene

1,2,3,4,7-pentamethyl-1H-indene (PubChem CID 54084188) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1,2,3,4,7-pentamethyl-1H-indene.

Molecular Properties

Compound Name1,2,3,4,7-pentamethyl-1H-indene
PubChem CID54084188
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1,2,3,4,7-pentamethyl-1H-indene
SMILESCC1=C(C)C(C)c2c(C)ccc(C)c21
InChIInChI=1S/C14H18/c1-8-6-7-9(2)14-12(5)10(3)11(4)13(8)14/h6-7,11H,1-5H3
InChIKeyBVFGXGZEHAUNJV-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,4,7-pentamethyl-1H-indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,7-pentamethyl-1H-indene?
The IUPAC name of 1,2,3,4,7-pentamethyl-1H-indene (CID 54084188) is 1,2,3,4,7-pentamethyl-1H-indene.
What is the SMILES notation for 1,2,3,4,7-pentamethyl-1H-indene?
The canonical SMILES for 1,2,3,4,7-pentamethyl-1H-indene is CC1=C(C)C(C)c2c(C)ccc(C)c21.
What is the InChIKey of 1,2,3,4,7-pentamethyl-1H-indene?
The InChIKey is BVFGXGZEHAUNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-8-6-7-9(2)14-12(5)10(3)11(4)13(8)14/h6-7,11H,1-5H3.
What are the key properties of 1,2,3,4,7-pentamethyl-1H-indene?
1,2,3,4,7-pentamethyl-1H-indene has a molecular weight of 186.30 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,7-pentamethyl-1H-indene is sourced from PubChem (CID 54084188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).