1,2,3-trimethyl-4,5,6,7-tetrahydro-1H-indene

C12H18 — CID 18694626

IUPAC1,2,3-trimethyl-4,5,6,7-tetrahydro-1H-indene
SMILESCC1=C(C)C(C)C2=C1CCCC2
InChIInChI=1S/C12H18/c1-8-9(2)11-6-4-5-7-12(11)10(8)3/h9H,4-7H2,1-3H3
InChIKeyGRYPITWARCIUDX-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.84
Rot. Bonds

About 1,2,3-trimethyl-4,5,6,7-tetrahydro-1H-indene

1,2,3-trimethyl-4,5,6,7-tetrahydro-1H-indene (PubChem CID 18694626) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1,2,3-trimethyl-4,5,6,7-tetrahydro-1H-indene.

Molecular Properties

Compound Name1,2,3-trimethyl-4,5,6,7-tetrahydro-1H-indene
PubChem CID18694626
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1,2,3-trimethyl-4,5,6,7-tetrahydro-1H-indene
SMILESCC1=C(C)C(C)C2=C1CCCC2
InChIInChI=1S/C12H18/c1-8-9(2)11-6-4-5-7-12(11)10(8)3/h9H,4-7H2,1-3H3
InChIKeyGRYPITWARCIUDX-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3-trimethyl-4,5,6,7-tetrahydro-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-trimethyl-4,5,6,7-tetrahydro-1H-indene?
The IUPAC name of 1,2,3-trimethyl-4,5,6,7-tetrahydro-1H-indene (CID 18694626) is 1,2,3-trimethyl-4,5,6,7-tetrahydro-1H-indene.
What is the SMILES notation for 1,2,3-trimethyl-4,5,6,7-tetrahydro-1H-indene?
The canonical SMILES for 1,2,3-trimethyl-4,5,6,7-tetrahydro-1H-indene is CC1=C(C)C(C)C2=C1CCCC2.
What is the InChIKey of 1,2,3-trimethyl-4,5,6,7-tetrahydro-1H-indene?
The InChIKey is GRYPITWARCIUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-8-9(2)11-6-4-5-7-12(11)10(8)3/h9H,4-7H2,1-3H3.
What are the key properties of 1,2,3-trimethyl-4,5,6,7-tetrahydro-1H-indene?
1,2,3-trimethyl-4,5,6,7-tetrahydro-1H-indene has a molecular weight of 162.28 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-4,5,6,7-tetrahydro-1H-indene is sourced from PubChem (CID 18694626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).